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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

CAS 16133-25-8
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

BUILDING BLOCK

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