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Also known as: 160982-10-5, 3-acetyl-2-(aminosulfonyl)-5-chlorothiophene, 3-acetyl-5-chloro-2-thiophenesulfonamide, 2-thiophenesulfonamide,3-acetyl-5-chloro-, 2-thiophenesulfonamide, 3-acetyl-5-chloro-, Schembl2631260
Molecular Formula
C6H6ClNO3S2
Molecular Weight
239.7  g/mol
InChI Key
ODLFFSHLXVZFPY-UHFFFAOYSA-N

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 Weight 239.7 g/mol
Molecular Formula C6H6ClNO3S2
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass238.9477631 g/mol
Monoisotopic Mass238.9477631 g/mol
Topological Polar Surface Area114 Ų
Heavy Atom Count13
Formal Charge0
Complexity310
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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