CAS 72811-73-5

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Also known as: 72811-73-5, 4-(m-tolylamino)pyridine-3-sulfonamide, 4-(3-methylphenyl)amino-3-pyridinesulfonamide, 4-(3-methylanilino)pyridine-3-sulfonamide, 4-[(3-methylphenyl)amino]pyridine-3-sulfonamide, Bm-960102

Molecular Formula

C₁₂H₁₃N₃O₂S

Molecular Weight

263.32 g/mol

InChI Key

ZXPCUGWAKUIOOF-UHFFFAOYSA-N

FDA UNII

7GN70NEN27

1 2D Structure

CAS 72811-73-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(3-methylanilino)pyridine-3-sulfonamide

2.1.2 InChI

InChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)

2.1.3 InChI Key

ZXPCUGWAKUIOOF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N

2.2 Other Identifiers

2.2.1 UNII

7GN70NEN27

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 72811-73-5

2. 4-(m-tolylamino)pyridine-3-sulfonamide

3. 4-(3-methylphenyl)amino-3-pyridinesulfonamide

4. 4-(3-methylanilino)pyridine-3-sulfonamide

5. 4-[(3-methylphenyl)amino]pyridine-3-sulfonamide

6. Bm-960102

7. 4-[(3-methylphenyl)amino]-3-pyridinesulfonamide

8. Torsemide Related Compound A

9. 3-sulfonamido-4-(3-methylanilino)pyridine

10. 7gn70nen27

11. 4-((3-methylphenyl)amino)-3-pyridinesulfonamide

12. 3-pyridinesulfonamide, 4-((3-methylphenyl)amino)-

13. 3-pyridinesulfonamide, 4-[(3-methylphenyl)amino]-

14. 4-(3-toluidino)pyridine-3-sulfonamide

15. 4-(3-methylphenylamino)pyridine-3-sulfonamide

16. Torsemide Impurity B

17. Unii-7gn70nen27

18. Bm 960102

19. [4-(3-methylphenyl)amino]pyridine-3-sulphonamide

20. Torsemide Related Compound A [usp]

21. Torsemide Related Compound A Rs [usp]

22. Ec 615-805-8

23. 4-(-3-methylphenyl)amino-3-pyridinesulfonamide

24. 3-sulfonamido-4-(3-methylanilino)-pyridine

25. Mls001180446

26. Schembl2876602

27. Chembl1890160

28. Dtxsid40223135

29. Hms2804f17

30. Zinc334942

31. Bcp11204

32. Mfcd00661332

33. Stl451287

34. 4-(m-tolylamino)-3-sulfamoylpyridine

35. Akos015889810

36. Ac-2050

37. Ck-0211

38. Cs-w012463

39. Smr000476525

40. 4-(3-methylanilino)-3-pyridinesulfonamide

41. Db-002539

42. Torasemide Impurity B [ep Impurity]

43. 4-(3-methylphenyl)amino-3-sulfamoylpyridine

44. Ft-0641424

45. T3007

46. 4-(3-methylphenyl)aminopyridine-3-sulfonamide

47. Torsemide Related Compound A [usp-rs]

48. 4-(3-methylphenylamino)-3-pyridine Sulfonamide

49. 4-(3-methylphenyl-amino)-3-pyridine Sulfonamide

50. 4-(3-methylphenylamino)-3-pyridine-sulphonamide

51. 811m735

52. A837631

53. Aj-333/25006115

54. Torsemide Related Compound A [usp Impurity]

55. Q27268264

56. Torsemide Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₃N₃O₂S
Molecular Weight	263.32 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	263.07284784 g/mol
Monoisotopic Mass	263.07284784 g/mol
Topological Polar Surface Area	93.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366
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