pyridin-2-ylmethanesulfonyl chloride

C6H6ClNO2S — CID 3707521

IUPACpyridin-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccccn1
InChIInChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKeyAJMQRUCRBKMIKB-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.15
Rot. Bonds2

About pyridin-2-ylmethanesulfonyl chloride

pyridin-2-ylmethanesulfonyl chloride (PubChem CID 3707521) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is pyridin-2-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namepyridin-2-ylmethanesulfonyl chloride
PubChem CID3707521
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Namepyridin-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccccn1
InChIInChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKeyAJMQRUCRBKMIKB-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

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2-(chloromethyl)pyridine;hydron;chloride
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lithium pyridin-2-ylmethanethiolate
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CID 142439308
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CID 145358493
3-pyridin-2-ylpropanoyl chloride;hydrochloride
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1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethanesulfonyl chloride?
The IUPAC name of pyridin-2-ylmethanesulfonyl chloride (CID 3707521) is pyridin-2-ylmethanesulfonyl chloride.
What is the SMILES notation for pyridin-2-ylmethanesulfonyl chloride?
The canonical SMILES for pyridin-2-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1ccccn1.
What is the InChIKey of pyridin-2-ylmethanesulfonyl chloride?
The InChIKey is AJMQRUCRBKMIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2.
What are the key properties of pyridin-2-ylmethanesulfonyl chloride?
pyridin-2-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-2-ylmethanesulfonyl chloride is sourced from PubChem (CID 3707521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).