CAS 98623-16-6

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-aminophenyl)-N-methylethanesulfonamide

2.1.2 InChI

InChI=1S/C9H14N2O2S/c1-11-14(12,13)7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3

2.1.3 InChI Key

SDXLSPCIRDEJKT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNS(=O)(=O)CCC1=CC=C(C=C1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 98623-16-6

2. 2-(4-aminophenyl)-n-methylethanesulfonamide

3. Benzeneethanesulfonamide, 4-amino-n-methyl-

4. 2-(4-aminophenyl)-n-methyl-ethanesulfonamide

5. 2-(4-aminophenyl)-n-methylethane-1-sulfonamide

6. Mfcd11617304

7. Schembl1275321

8. Dtxsid60541747

9. Zinc34067370

10. Akos015920300

11. Gs-3758

12. Sb79346

13. Db-080556

14. Ft-0648802

15. 2-(4-aminophenyl)-ethanesulfonic Acid Methylamide

16. 2-(4-aminophenyl)ethane Sulfonic Acid Methylamide

17. 623a166

18. 2-(4-amino-phenyl)-ethanesulfonic Acid Methylamide

19. J-514451

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄N₂O₂S
Molecular Weight	214.29 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	80.6
Heavy Atom Count	14
Formal Charge	0
Complexity	251
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

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