CAS 42899-76-3

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 24 Related Intermediates

1 Suppliers
1 End Use APIs
24 Related Intermediates

Chemistry

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Also known as: 42899-76-3, Pyridine-3-sulfonyl chloride hcl, 3-pyridinesulfonyl chloride, hydrochloride, 3-pyridinesulfonyl chloride hydrochloride, 3-pyridinesulfonyl chloride, hcl, Pyridine-3-sulfonyl chloride;hydrochloride

Molecular Formula

C₅H₅Cl₂NO₂S

Molecular Weight

214.07 g/mol

InChI Key

VIVPWOMJFLICOZ-UHFFFAOYSA-N

1 2D Structure

CAS 42899-76-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyridine-3-sulfonyl chloride;hydrochloride

2.1.2 InChI

InChI=1S/C5H4ClNO2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h1-4H;1H

2.1.3 InChI Key

VIVPWOMJFLICOZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CN=C1)S(=O)(=O)Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42899-76-3

2. Pyridine-3-sulfonyl Chloride Hcl

3. 3-pyridinesulfonyl Chloride, Hydrochloride

4. 3-pyridinesulfonyl Chloride Hydrochloride

5. 3-pyridinesulfonyl Chloride, Hcl

6. Pyridine-3-sulfonyl Chloride;hydrochloride

7. Pyridine-3-sulphonyl Chloride Hydrochloride

8. Pyridine-3-sulfonylchloride Hydrochloride

9. 3-pyridylsulfonylchloride Hcl

10. Schembl214680

11. 3-pyridinesulphonylchloride-hcl

12. Dtxsid20502990

13. 3-pyridine Sulfonyl Chloride Hcl

14. Vivpwomjflicoz-uhfffaoysa-n

15. Bcp11100

16. Mfcd04035552

17. 3-pyridylsulfonylchloride Hydrochloride

18. Akos007929994

19. 3-pyridinesulfonylchloride Hydrochloride

20. As-7034

21. Cs-w019484

22. Pb34068

23. 3-pyridine Sulfonyl Chloride Hydrochloride

24. Ac-25688

25. Db-004082

26. Db-013283

27. Pyridine-3-ylsulfonyl Chloride Hydrochloride

28. A6959

29. Am20051177

30. En300-33581

31. 3-pyridylsulfonyl Chloride Hydrochloride

32. Pyridine-3-sulfonyl Chloride Hydrochloride Salt

33. Pyridine-3-sulphonic Acid Chloride Hydrochloride

34. Pyridine-3-sulphonyl Chloride Hydrochloride, Tech

35. A826055

36. Pyridin-3-ylsulfonyl Chloride Hydrochloride

37. J-524121

38. 3-pyridinesulfonyl Chloride Hydrochloride, Aldrichcpr

39. F2145-0709

40. Pyridine-3-sulfonyl Chloride--hydrogen Chloride (1/1)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₅Cl₂NO₂S
Molecular Weight	214.07 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.4
Heavy Atom Count	11
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	2