CAS 160982-11-6

1 2D Structure

CAS 160982-11-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-bromoacetyl)-5-chlorothiophene-2-sulfonamide

2.1.2 InChI

InChI=1S/C6H5BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1H,2H2,(H2,9,11,12)

2.1.3 InChI Key

OZESFFKYLOCAOV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(SC(=C1C(=O)CBr)S(=O)(=O)N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 160982-11-6

2. 3-(2-bromoacetyl)-5-chloro-2-thiophenesulfonamide

3. 3-(bromoacetyl)-5-chloro-2-thiophenesulfonamide

4. 2-thiophenesulfonamide, 3-(2-bromoacetyl)-5-chloro-

5. 3-(2-bromo-acetyl)-5-chloro-thiophene-2-sulfonic Acid Amide

6. 3-(bromoacetyl)-5-chlorothiophene-2-sulfonamide

7. 2-thiophenesulfonamide,3-(2-bromoacetyl)-5-chloro-

8. Schembl1559488

9. Dtxsid50430974

10. Bcp06627

11. Mfcd09033310

12. Zinc22002665

13. Akos015895859

14. Ab49389

15. Ac-22718

16. Bs-16043

17. Db-064385

18. Cs-0157327

19. Ft-0696025

20. 3-bromoacetyl-5-chloro-2-thiophenesulfonamide

21. D82428

22. 982b116

23. A883154

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₅BrClNO₃S₂
Molecular Weight	318.6 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	316.85828 g/mol
Monoisotopic Mass	316.85828 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	329
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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CAS 160982-11-6

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4 End Use API

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