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Overview of 4-Hydrazinylbenzenesulfonamide

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4CH-015942
PharmaCompass
4CH-015942
Also known as: 4392-54-5, 4-hydrazinobenzenesulfonamide, Phenylhydrazine-4-sulfonamide, 4-hydrazinylbenzene-1-sulfonamide, P-hydrazinobenzenesulphonamide, 4-hydrazino-benzenesulfonamide
Molecular Formula
C6H9N3O2S
Molecular Weight
187.217  g/mol
InChI Key
NBJSNAGTUCWQRO-UHFFFAOYSA-N

1 2D Structure

4CH-015942

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydrazinylbenzenesulfonamide
2.1.2 InChI
InChI=1S/C6H9N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
2.1.3 InChI Key
NBJSNAGTUCWQRO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1NN)S(=O)(=O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4392-54-5

2. 4-hydrazinobenzenesulfonamide

3. Phenylhydrazine-4-sulfonamide

4. 4-hydrazinylbenzene-1-sulfonamide

5. P-hydrazinobenzenesulphonamide

6. 4-hydrazino-benzenesulfonamide

7. Benzenesulfonamide, 4-hydrazino-

8. 27918-19-0

9. Chembl7204

10. 4-sulfonamide-phenylhydrazine Hydrochloride

11. Nbjsnagtucwqro-uhfffaoysa-n

12. 4-aminosulfonylphenylhydrazine

13. Nsc73246

14. Einecs 224-513-6

15. Hydrazide Deriv. 14

16. Pubchem7527

17. Pubchem23576

18. Ac1l2uhv

19. Ac1q6uhs

20. 4-sulfamoylphenyl-hydrazine

21. D0nn3q

22. 4-diazanylbenzenesulfonamide

23. Nciopen2_000438

24. 4-amidosulfonylphenylhydrazine

25. 4-hydrazinobenzenesulphonamide

26. 4-aminosulfonylphenyl Hydrazine

27. Schembl1144444

28. 4-(aminosulfonyl)phenylhydrazine

29. Benzenesulfonamide,4-hydrazinyl-

30. 4-(aminosulphonyl)phenylhydrazine

31. 4-hydrazino-1-benzenesulfonamide

32. Bdbm10858

33. Ctk4i7874

34. Ks-00003hoq

35. Benzenesulfonamide, 4-hydrazinyl-

36. Dtxsid40195989

37. Molport-000-639-520

38. Zinc152965

39. Albb-005907

40. Aromatic/heteroaromatic Sulfonamide 3

41. Bbl013170

42. Nsc-73246

43. Sbb042866

44. Stk502137

45. Akos000113001

46. Bs-4018

47. Mcule-8413730858

48. Vz29151

49. Benzenesulfonamide, 4-hydrazino- (9ci)

50. Aj-12862

51. Br-46434

52. Cj-01210

53. Zb005305

54. Ab0024941

55. Kb-187392

56. St2418388

57. Tr-017011

58. 4ch-015942

59. Am20050352

60. Bb 0258144

61. Ft-0653787

62. W6307

63. S-3171

64. 918a190

65. A819245

66. 4-hydrazinobenzenesulfonamide?hydrochloridecelecoxib)

67. W-106216

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 187.217 g/mol
Molecular Formula C6H9N3O2S
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass187.042 g/mol
Monoisotopic Mass187.042 g/mol
Topological Polar Surface Area107 A^2
Heavy Atom Count12
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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