CAS 109903-35-7

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Also known as: 109903-35-7, 1-(4-aminophenyl)-n-methylmethanesulfonamide, 4-amino-n-methyl-alpha-toluenesulfonamide, Benzenemethanesulfonamide, 4-amino-n-methyl-, (4-aminophenyl)-n-methylmethanesulfonamide, 76t5q2tvd4

Molecular Formula

C₈H₁₂N₂O₂S

Molecular Weight

200.26 g/mol

InChI Key

CIWNHTXCBHTWRV-UHFFFAOYSA-N

FDA UNII

76T5Q2TVD4

1 2D Structure

CAS 109903-35-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-aminophenyl)-N-methylmethanesulfonamide

2.1.2 InChI

InChI=1S/C8H12N2O2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3

2.1.3 InChI Key

CIWNHTXCBHTWRV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)N

2.2 Other Identifiers

2.2.1 UNII

76T5Q2TVD4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 109903-35-7

2. 1-(4-aminophenyl)-n-methylmethanesulfonamide

3. 4-amino-n-methyl-alpha-toluenesulfonamide

4. Benzenemethanesulfonamide, 4-amino-n-methyl-

5. (4-aminophenyl)-n-methylmethanesulfonamide

6. 76t5q2tvd4

7. 4-(((methylamino)sulfonyl)methyl)aniline

8. 4-amino-n-methyl-alpha-toluenesulphonamide

9. 4-amino-n-methylbenzenemethanesulfonamide Hydrochloride

10. 1-(4-aminophenyl)-n-methyl-methanesulfonamide

11. Unii-76t5q2tvd4

12. Schembl631823

13. 4methylaminosulfonylmethylaniline

14. 4-methylaminosulfonylmethylaniline

15. Dtxsid90380787

16. 4-aminobenzyl Sulfonyl Methylamine

17. 4-methylsulphamoylmethyl-phenylamine

18. Amy18669

19. Zinc2567350

20. Mfcd00671697

21. Akos009158415

22. Cs-w022080

23. Sb77421

24. 4-amino-n-methylbenzenemethanesulfonaide

25. Ts-00334

26. 4-amino-n-methylbenzene Methanesulphonamide

27. N-methyl-(4-aminophenyl)-methanesulfonamide

28. 4-amino-n-methyl- Alpha -toluenesulfonamide

29. Ft-0617588

30. (4-amino-phenyl)-n-methyl-methane Sulfonamide

31. 1-(4-aminophenyl)-n-methylmethanesulphonamide

32. C-(4-aminophenyl)-n-methyl-methanesulfonamide

33. (4-amino-phenyl)-n-methyl-methane Sulphonamide

34. C-(4-amino-phenyl)-n-methyl-methanesulfonamide

35. O10284

36. 4-amino-n-methyl-alpha-toluenesulfonamide, 97%

37. 903a357

38. J-002342

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂N₂O₂S
Molecular Weight	200.26 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	80.6
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