pyridin-3-ylmethanesulfonyl chloride

C6H6ClNO2S — CID 4658302

IUPACpyridin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccnc1
InChIInChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-2-1-3-8-4-6/h1-4H,5H2
InChIKeyIMERRCYWGAOVGQ-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.15
Rot. Bonds2

About pyridin-3-ylmethanesulfonyl chloride

pyridin-3-ylmethanesulfonyl chloride (PubChem CID 4658302) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is pyridin-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namepyridin-3-ylmethanesulfonyl chloride
PubChem CID4658302
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Namepyridin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccnc1
InChIInChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-2-1-3-8-4-6/h1-4H,5H2
InChIKeyIMERRCYWGAOVGQ-UHFFFAOYSA-N
XLogP1.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl pyridin-3-ylmethanesulfonate
CID 174906539
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-(pyridin-3-ylmethylsulfonyl)propanamide
CID 90715302
CID 59070093
CID 59070093
(3-methyl-4-pyridinyl)methanesulfonyl chloride
CID 130516221
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
pyridin-3-ylmethanesulfinyl chloride
CID 143860188
2-pyridin-3-ylacetyl chloride
CID 14697475
3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
CID 71645608

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethanesulfonyl chloride?
The IUPAC name of pyridin-3-ylmethanesulfonyl chloride (CID 4658302) is pyridin-3-ylmethanesulfonyl chloride.
What is the SMILES notation for pyridin-3-ylmethanesulfonyl chloride?
The canonical SMILES for pyridin-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cccnc1.
What is the InChIKey of pyridin-3-ylmethanesulfonyl chloride?
The InChIKey is IMERRCYWGAOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-2-1-3-8-4-6/h1-4H,5H2.
What are the key properties of pyridin-3-ylmethanesulfonyl chloride?
pyridin-3-ylmethanesulfonyl chloride has a molecular weight of 191.64 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 4658302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).