CAS 16133-25-8

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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

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 Formula	C₅H₄ClNO₂S
Molecular Weight	177.61 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.9651272 g/mol
Monoisotopic Mass	176.9651272 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	196
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