CAS 160982-10-5

1 2D Structure

CAS 160982-10-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-acetyl-5-chlorothiophene-2-sulfonamide

2.1.2 InChI

InChI=1S/C6H6ClNO3S2/c1-3(9)4-2-5(7)12-6(4)13(8,10)11/h2H,1H3,(H2,8,10,11)

2.1.3 InChI Key

ODLFFSHLXVZFPY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 160982-10-5

2. 3-acetyl-2-(aminosulfonyl)-5-chlorothiophene

3. 3-acetyl-5-chloro-2-thiophenesulfonamide

4. 2-thiophenesulfonamide,3-acetyl-5-chloro-

5. 2-thiophenesulfonamide, 3-acetyl-5-chloro-

6. Schembl2631260

7. Dtxsid90571092

8. Amy19478

9. Mfcd09033309

10. Zinc22002661

11. Akos015909945

12. Ab49386

13. Ds-4144

14. 3-acetyl-5-chloro-2thiophenesulfonamide

15. Ac-27013

16. Db-064384

17. Cs-0155128

18. Ft-0711289

19. T70363

20. 982a105

21. A883155

22. 3-acetyl-5-chloro-thiophene-2-sulfonic Acid Amide

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₆H₆ClNO₃S₂
Molecular Weight	239.7 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	238.9477631 g/mol
Monoisotopic Mass	238.9477631 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	310
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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