CAS 35303-76-5

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12 End Use APIs
31 Related Intermediates

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Also known as: 35303-76-5, 4-(2-aminoethyl)benzene-1-sulfonamide, Benzenesulfonamide, 4-(2-aminoethyl)-, 4-(2-aminoethyl)benzene sulfonamide, 4-(2-aminoethyl)benzenesulphonamide, 4-(2-amino-ethyl)-benzenesulfonamide

Molecular Formula

C₈H₁₂N₂O₂S

Molecular Weight

200.26 g/mol

InChI Key

FXNSVEQMUYPYJS-UHFFFAOYSA-N

FDA UNII

WIA59Y34CJ

1 2D Structure

CAS 35303-76-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-aminoethyl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)

2.1.3 InChI Key

FXNSVEQMUYPYJS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CCN)S(=O)(=O)N

2.2 Other Identifiers

2.2.1 UNII

WIA59Y34CJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aebsnh2

2.3.2 Depositor-Supplied Synonyms

1. 35303-76-5

2. 4-(2-aminoethyl)benzene-1-sulfonamide

3. Benzenesulfonamide, 4-(2-aminoethyl)-

4. 4-(2-aminoethyl)benzene Sulfonamide

5. 4-(2-aminoethyl)benzenesulphonamide

6. 4-(2-amino-ethyl)-benzenesulfonamide

7. Mfcd00010301

8. Chembl7087

9. Wia59y34cj

10. 4-aminoethylbenzenesulfonamide

11. 2-(4-sulfamoylphenyl)ethylamine

12. 4-(2-aminoethyl)benzesulfonamide

13. 4-(2-aminoethyl)-benzenesulfonamide Hydrochloride

14. Einecs 252-501-0

15. 4-(2-aminoethyl) Benzenesulfonamide

16. 4-(2-aminoethyl)benzene-sulfonamide

17. Aebs

18. 4-(2-aminoethyl)benzene Sulphonamide

19. Unii-wia59y34cj

20. Ec 252-501-0

21. Timtec1_004114

22. Oprea1_683536

23. Cbdive_002752

24. Mls000776589

25. Schembl142107

26. Aromatic Sulfonamide Compound 7

27. Bdbm10861

28. Zinc56629

29. Dtxsid20188814

30. Hms1545k22

31. Hms2682a23

32. Hms3604d10

33. P-(2-aminoethyl)benzenesulfonamide

34. Bcp13828

35. Str01507

36. 2-(4-sulfamoyl-phenyl)-ethyl-amine

37. 4-(2-amino-ethyl)benzenesulfonamide

38. 4--(2-aminoethyl)benzenesulfonamide

39. Aromatic/heteroaromatic Sulfonamide 6

40. Bbl018125

41. Stl102633

42. 4-(2-amino Ethyl)benzene Sulfonamide

43. P-aminoethyl Benzenesulfonamide

44. 4-(beta-aminoethyl)-benzenesulfonamide

45. Akos000119356

46. P-(beta-aminoethyl)-benzenesulfonamide

47. 2-[4-(aminosulfonyl)phenyl]ethylamine

48. Db08782

49. Sb78461

50. 2-amino Ethyl Benzene Sulfonamide

51. Ncgc00245988-01

52. Para-(beta-aminoethyl)benzenesulphonamide

53. Ac-18741

54. Bp-20147

55. Smr000371838

56. 4-(2-aminoethyl)benzenesulfonamide, 99%

57. Db-048777

58. Am20040264

59. Bb 0218502

60. Ft-0616511

61. D70143

62. A822722

63. W-106677

64. Q27097962

65. Z56755653

66. F0051-0002

67. Zyx

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂N₂O₂S
Molecular Weight	200.26 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	200.06194880 g/mol
Monoisotopic Mass	200.06194880 g/mol
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237
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