Prestwick3_000711

Synopsis, Chemistry

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2 APIs

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Also known as: 127-71-9, N-sulfanilylbenzamide, Sulfabenzide, Sulfabenzoylamide, Sulfabenzid, N-benzoylsulfanilamide

Molecular Formula

C₁₃H₁₂N₂O₃S

Molecular Weight

276.31 g/mol

InChI Key

PBCZLFBEBARBBI-UHFFFAOYSA-N

FDA UNII

G58F8OPL4I

Sulfabenzamide is a sulfonamide antibacterial agent used alone or with sulfathiazole and sulfacetamide as a topical, intravaginal antibacterial preparation.

1 2D Structure

Prestwick3_000711

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-aminophenyl)sulfonylbenzamide

2.1.2 InChI

InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)

2.1.3 InChI Key

PBCZLFBEBARBBI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N

2.2 Other Identifiers

2.2.1 UNII

G58F8OPL4I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Benzamide, N-((4-aminophenyl)sulfonyl)-

2.3.2 Depositor-Supplied Synonyms

1. 127-71-9

2. N-sulfanilylbenzamide

3. Sulfabenzide

4. Sulfabenzoylamide

5. Sulfabenzid

6. N-benzoylsulfanilamide

7. Sulfabenzamid

8. Sulfabenzamida

9. N-sulfamylbenzamide

10. N-(4-aminophenyl)sulfonylbenzamide

11. Sulfamylbenzamide

12. Benzamide, N-[(4-aminophenyl)sulfonyl]-

13. Sulfabenzamidum

14. Sultrin

15. N-[(4-aminophenyl)sulfonyl]benzamide

16. N-(p-aminobenzenesulfonyl)benzamide

17. N-(4-aminobenzenesulfonyl)benzamide

18. Benzamide, N-sulfanilyl-

19. N(sup1)-benzoylsulfanilamide

20. N-((4-aminophenyl)sulfonyl)benzamide

21. Sulfanilamide, N(sup1)-benzoyl-

22. Benzamide, N-((4-aminophenyl)sulfonyl)-

23. Nsc 74587

24. Nsc-74587

25. G58f8opl4i

26. Triple Sulfa (sulfabenzamide)

27. Mls000069716

28. N-(4-aminophenylsulfonyl)benzamide

29. Nsc74587

30. Ncgc00016385-01

31. Cas-127-71-9

32. Smr000058257

33. Dsstox_cid_25287

34. Dsstox_rid_80783

35. Dsstox_gsid_45287

36. Sulfabenzamide(sb)

37. N-((4-aminophenyl)sulfonyl)-benzamid

38. Sulfabenzamidum [inn-latin]

39. Sulfabenzamida [inn-spanish]

40. N(sup 1)-benzoylsulfanilamide

41. N1-benzoylsulfanilamide

42. Sulfanilamide, N(sup 1)-benzoyl-

43. Sr-01000000178

44. Einecs 204-859-4

45. Unii-g58f8opl4i

46. Brn 2139003

47. Sulphabenzamide

48. Ai3-08024

49. Mfcd00044890

50. Prestwick_1019

51. Sulfabenzamide [usan:usp:inn:ban]

52. Sulphabenzamide, Usp

53. Spectrum_000982

54. Opera_id_1271

55. Prestwick0_000711

56. Prestwick1_000711

57. Prestwick2_000711

58. Prestwick3_000711

59. Spectrum2_001317

60. Spectrum3_000569

61. Spectrum4_000341

62. Spectrum5_001066

63. N(1)-benzoylsulfanilamide

64. Sulfabenzamide (usp/inn)

65. Sulfabenzamide [mi]

66. Benzoyl Sulfanilamide

67. Sulfanilamide, N1-benzoyl-

68. Chembl1243

69. Sulfabenzamide [inn]

70. Schembl93841

71. Bspbio_000921

72. Bspbio_001958

73. Kbiogr_000741

74. Kbioss_001462

75. Sulfabenzamide [usan]

76. 4-14-00-02664 (beilstein Handbook Reference)

77. Divk1c_000537

78. Spectrum1500544

79. Sulfabenzamide [vandf]

80. Spbio_001413

81. Spbio_002842

82. Sulfabenzamide [mart.]

83. Bpbio1_001015

84. Sulfabenzamide [usp-rs]

85. Sulfabenzamide [who-dd]

86. Dtxsid7045287

87. Chebi:94677

88. Hms501k19

89. Kbio1_000537

90. Kbio2_001462

91. Kbio2_004030

92. Kbio2_006598

93. Kbio3_001458

94. N-benzoyl4-aminobenzenesulfonamide

95. Ninds_000537

96. Hms1570o03

97. Hms1921a09

98. Hms2092i11

99. Hms2097o03

100. Hms2234f05

101. Hms3372c11

102. Hms3714o03

103. Pharmakon1600-01500544

104. 4-amino-n-benzoylbenzenesulfonamide

105. N-benzoyl-4-aminobenzenesulfonamide

106. Amy37036

107. Hy-b0960

108. Zinc5421253

109. Sulfabenzamide [orange Book]

110. Tox21_110410

111. Ccg-39255

112. Nsc757322

113. S4576

114. Stk985629

115. Sulfabenzamide (triple Sulfa)

116. Sulfabenzamide [usp Impurity]

117. Trysul Component Sulfabenzamide

118. 4-amino-n-benzoylbenzenesulfonamide #

119. Akos000482643

120. Sultrin Component Sulfabenzamide

121. Tox21_110410_1

122. Vagilia Component Sulfabenzamide

123. Bs-4997

124. Cs-4442

125. Db09355

126. N-[(4-aminophenyl)sulfonyl]-benzamide

127. Nsc-757322

128. Idi1_000537

129. N-(4-aminobenzene-1-sulfonyl)benzamide

130. Gyne-sulf Component Sulfabenzamide

131. Ncgc00016385-02

132. Ncgc00016385-03

133. Ncgc00016385-04

134. Ncgc00016385-05

135. Ncgc00016385-06

136. Ncgc00016385-08

137. Ncgc00022347-03

138. Ncgc00022347-04

139. Sulfabenzamide Component Of Trysul

140. Ac-24189

141. Sulfabenzamide 100 Microg/ml In Methanol

142. Sulfabenzamide Component Of Sultrin

143. Sulfabenzamide Component Of Vagilia

144. Sbi-0051518.p003

145. Db-041871

146. Ab00052093

147. Ft-0631744

148. S0582

149. Sulfabenzamide Component Of Gyne-sulf

150. C72147

151. D05946

152. Ab00052093_15

153. 4-amino-n-(1-phenyl-methanoyl)-benzenesulfonamide

154. Sulfabenzamide, Vetranal(tm), Analytical Standard

155. J-005533

156. Q7636176

157. Sr-01000000178-2

158. Sr-01000000178-3

159. Triple Sulfa (sulfabenzamide) [orange Book]

160. Brd-k59983611-001-05-2

161. Brd-k59983611-001-15-1

162. Sulfabenzamide, United States Pharmacopeia (usp) Reference Standard

163. Bs4

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂N₂O₃S
Molecular Weight	276.31 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	276.05686342 g/mol
Monoisotopic Mass	276.05686342 g/mol
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	402
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1