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CAS 16133-25-8
Also known as: 16133-25-8, 3-pyridinesulfonyl chloride, Pyridine-3-sulfonylchloride, Genbank cx447129 (9ci), 813222-82-1, Chloro-3-pyridylsulfone
Molecular Formula
C5H4ClNO2S
Molecular Weight
177.61  g/mol
InChI Key
CDRNYKLYADJTMN-UHFFFAOYSA-N

1 2D Structure

CAS 16133-25-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyridine-3-sulfonyl chloride
2.1.2 InChI
InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
2.1.3 InChI Key
CDRNYKLYADJTMN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CN=C1)S(=O)(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 16133-25-8

2. 3-pyridinesulfonyl Chloride

3. Pyridine-3-sulfonylchloride

4. Genbank Cx447129 (9ci)

5. 813222-82-1

6. Chloro-3-pyridylsulfone

7. 3-pyridinesulfonylchloride

8. 3-pyridinesulphonylchloride

9. 3-pyridylsulfonyl Chloride

10. 3-pyridinylsulfonyl Chloride

11. Pyrid-3-ylsulfonyl Chloride

12. Pyridin-3-sulfonyl Chloride

13. Pyridine-3-sulphonylchloride

14. 3-pyridine Sulfonyl Chloride

15. Schembl17072

16. Pyridin-3-ylsulfonyl Chloride

17. 3-pyridine Sulphonyl Chloride

18. Pyridine-?3-?sulfonyl Chloride

19. Pyridine-3-sulfonyl Hydrochloride

20. Dtxsid70936483

21. Act09915

22. Bcp12293

23. Mfcd03452747

24. Pyridine-3-sulphonyl Chloride

25. Stk802246

26. Zinc32098730

27. Akos000265497

28. Ab15457

29. Cs-w008940

30. Sb10035

31. Ac-29288

32. Bs-13229

33. Am20050853

34. Bb 0218420

35. Ft-0650180

36. P1935

37. En300-30525

38. A24444

39. 899p763

40. J-009815

41. J-524122

42. Z1741981597

43. Pyridine-3-sulfonyl Chloride, For Hplc Derivatization, >=98.0% (gc)

2.3 Create Date
2005-08-10
3 Chemical and Physical Properties
Molecular Weight 177.61 g/mol
Molecular Formula C5H4ClNO2S
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.9651272 g/mol
Monoisotopic Mass176.9651272 g/mol
Topological Polar Surface Area55.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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