MolPort-001-761-242

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Also known as: 2494-89-5, 2-((4-aminophenyl)sulfonyl)ethyl hydrogen sulfate, 2-(4-aminophenyl)sulfonylethyl hydrogen sulfate, 2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate, 2-sulfanilylethanol hydrogen sulfate, Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)

Molecular Formula

C₈H₁₁NO₆S₂

Molecular Weight

281.3 g/mol

InChI Key

IALORYHODRVWKZ-UHFFFAOYSA-N

FDA UNII

5R04R0T8IA

1 2D Structure

MolPort-001-761-242

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-aminophenyl)sulfonylethyl hydrogen sulfate

2.1.2 InChI

InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)

2.1.3 InChI Key

IALORYHODRVWKZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

5R04R0T8IA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-((2-sulfatoethyl)sulfonyl)aniline

2. P-(beta-sulphato-ethyl-sulfonyl)aniline

3. P-sesa

2.3.2 Depositor-Supplied Synonyms

1. 2494-89-5

2. 2-((4-aminophenyl)sulfonyl)ethyl Hydrogen Sulfate

3. 2-(4-aminophenyl)sulfonylethyl Hydrogen Sulfate

4. 2-[(p-aminophenyl)sulphonyl]ethyl Hydrogensulphate

5. 2-sulfanilylethanol Hydrogen Sulfate

6. Ethanol, 2-sulfanilyl-, Hydrogen Sulfate (ester)

7. 5r04r0t8ia

8. Ethanol, 2-((4-aminophenyl)sulfonyl)-, Hydrogen Sulfate (ester)

9. Ethanol, 2-[(4-aminophenyl)sulfonyl]-, Hydrogen Sulfate (ester)

10. 2-((p-aminophenyl)sulphonyl)ethyl Hydrogensulphate

11. (2-((4-aminobenzene)sulfonyl)ethoxy)sulfonic Acid

12. 1-sulfanilylethanol Hydrogen Sulfate

13. 1-aminobenzene-4-(2-sulfatoethyl)sulfone

14. Ethanol, 2-((4-aminophenyl)sulfonyl)-, 1-(hydrogen Sulfate)

15. Einecs 219-669-7

16. 4-((2-sulfatoethyl)sulfonyl)aniline

17. Unii-5r04r0t8ia

18. 4-(ethylsulfurate Sulfonyl)aniline

19. Para Base Sulfate

20. Ec 219-669-7

21. Schembl314732

22. Dtxsid0027484

23. Zinc1841190

24. Mfcd00100131

25. Stk368411

26. Akos005444231

27. 4-aminobenzenesulfonylethylsulfuric Acid

28. 2-(4-aminobenzenesulfonyl)ethyl Sulfate

29. P-(beta-sulphato-ethyl-sulfonyl)aniline

30. S10130

31. 2-(4-aminophenylsulfonyl)ethanol Sulfate

32. P-(2-sulfatoethylsulfonyl)aniline

33. 1-aminobenzene-4-beta-sulfatoethylsulfone

34. 4-(2-sulfatoethylsulfonyl)aniline

35. As-54446

36. P-aminophenyl 2-sulfatoethyl Sulfone

37. 4-aminophenyl 2-sulfatoethyl Sulfone

38. Cs-0186374

39. Ft-0659083

40. P-(.beta.-sulfatoethylsulfonyl)aniline

41. 2-((4-aminophenyl)sulfonyl)ethylhydrogensulfate

42. 4-(.beta.-sulfatoethylsulfonyl)aniline

43. 2-(4-aminophenylsulfonyl)ethyl Bisulfate

44. Ethanol, 2-sulfanilyl-, Hydrogen Sulfate

45. P-aminophenyl .beta.-sulfatoethyl Sulfone

46. 4-((.beta.-sulfooxyethyl)sulfonyl)aniline

47. 4-aminophenyl .beta.-sulfatoethyl Sulfone

48. 494s895

49. A817564

50. 1-aminobenzene-4-.beta.-sulfatoethylsulfone

51. 4-amino-1-.beta.-sulfatoethylsulfonylbenzene

52. Q27262761

53. Sodium 4-(.beta.-sulphatoethyl)sulfonylaniline

54. 2-((p-aminophenyl)sulfonyl)ethyl Hydrogen Sulfate

55. 4-aminophenyl .beta.-hydroxyethyl Sulfone Sulfate Ester

56. Sulfuric Acid Mono-[2-(4-amino-benzenesulfonyl)-ethyl] Ester

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁NO₆S₂
Molecular Weight	281.3 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	281.00277942 g/mol
Monoisotopic Mass	281.00277942 g/mol
Topological Polar Surface Area	141 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	424
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