CAS 6292-59-7

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2 End Use APIs
4 Related Intermediates

Chemistry

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Also known as: 6292-59-7, 4-(tert-butyl)benzenesulfonamide, 4-tert-butylbenzenesulphonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-, 4-tert-butylbenzene-1-sulfonamide, P-tert-butylbenzenesulfonamide

Molecular Formula

C₁₀H₁₅NO₂S

Molecular Weight

213.30 g/mol

InChI Key

KYDZEZNYRFJCSA-UHFFFAOYSA-N

FDA UNII

3HBX5G8GUV

1 2D Structure

CAS 6292-59-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-tert-butylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

2.1.3 InChI Key

KYDZEZNYRFJCSA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

3HBX5G8GUV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6292-59-7

2. 4-(tert-butyl)benzenesulfonamide

3. 4-tert-butylbenzenesulphonamide

4. Benzenesulfonamide, 4-(1,1-dimethylethyl)-

5. 4-tert-butylbenzene-1-sulfonamide

6. P-tert-butylbenzenesulfonamide

7. 4-(1,1-dimethylethyl)benzenesulfonamide

8. Nsc-9911

9. 3hbx5g8guv

10. Mfcd00068599

11. 4-(tert-butyl)benzene-1-sulfonamide

12. 4-(tert-butyl)benzenesulphonamide

13. Nsc9911

14. Unii-3hbx5g8guv

15. P-t-butylbenzenesulfonamide

16. 4-t-butylbenzenesulfonamide

17. P-t-butylphenyl-sulfonamide

18. Cambridge Id 5103993

19. 4-tertbutylbenzenesulfonamide

20. Bosentan Related Compound E

21. P-tert-butylphenylsulfonamide

22. Bosentan Related Compound 2

23. Oprea1_291564

24. Oprea1_624932

25. Cbdive_002179

26. P-tert-butylbenzenesulphonamide

27. Schembl283836

28. 4-tert-butyl-benzenesulfonamide

29. (4-tert-butyl)benzenesulfonamide

30. Dtxsid70278754

31. Zinc160561

32. Act08570

33. Bcp08837

34. Cs-m1898

35. Am1107

36. Stl372660

37. Akos001056211

38. Ac-6947

39. Fs-1453

40. Sy018881

41. 4-tert-butylbenzenesulphonamide, Aldrichcpr

42. Db-024719

43. B3837

44. Ft-0603699

45. O11103

46. Ab00073666-01

47. Sr-01000195199

48. J-516004

49. Sr-01000195199-1

50. F0808-2042

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO₂S
Molecular Weight	213.30 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	68.5
Heavy Atom Count	14
Formal Charge	0
Complexity	276
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