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Also known as: 6973-09-7, 3-amino-6-methylbenzenesulfonamide, 2-methyl-5-aminobenzene sulfonamide, Benzenesulfonamide, 5-amino-2-methyl-, 5-amino-2-methylbenzene-1-sulfonamide, Mfcd06681071
Molecular Formula
C7H10N2O2S
Molecular Weight
186.23  g/mol
InChI Key
KTPBKMYOIFHJMI-UHFFFAOYSA-N

CAS 6973-09-7
1 2D Structure

CAS 6973-09-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-2-methylbenzenesulfonamide
2.1.2 InChI
InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
2.1.3 InChI Key
KTPBKMYOIFHJMI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6973-09-7

2. 3-amino-6-methylbenzenesulfonamide

3. 2-methyl-5-aminobenzene Sulfonamide

4. Benzenesulfonamide, 5-amino-2-methyl-

5. 5-amino-2-methylbenzene-1-sulfonamide

6. Mfcd06681071

7. 5-amino-2-methyl-benzenesulfonamide

8. Nsc36969

9. P-aminotoluol-sulfonamid

10. Schembl342932

11. 3-amino-6-methylbenzenesulfonam

12. Amino-2-methylbenzenesulfonamide

13. Dtxsid40284367

14. 3-(aminosulfonyl)-4-methylaniline

15. 2-methyl-5-amino Benzenesulfonamide

16. 3-amino-6-methyl-benzenesulfonamide

17. 5-amino-2-methyl Benzenesulfonamide

18. Bcp23176

19. Cs-b0767

20. Zinc3888713

21. Nsc-36969

22. Stl363259

23. Akos000123046

24. 3-aminosulfonyl-4-methylaniline

25. Pb18742

26. Ac-24855

27. As-14160

28. Sy003683

29. 5-amino-2-methylbenzene-sulfonamide

30. Db-012230

31. Am20061065

32. Ft-0658813

33. En300-12407

34. 5-amino-2-methylbenzenesulfonamide, Aldrichcpr

35. 973a097

36. A836624

37. A1-01694

38. Q-103465

39. Z89270697

40. F9995-0234

41. 5-amino-2-methyl-benzenesulfonamide;3-amino-6-methylbenzenesulfonamide

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 186.23 g/mol
Molecular Formula C7H10N2O2S
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass186.04629874 g/mol
Monoisotopic Mass186.04629874 g/mol
Topological Polar Surface Area94.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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