5-methylpyridine-3-sulfonyl chloride

C6H6ClNO2S — CID 22674176

IUPAC5-methylpyridine-3-sulfonyl chloride
SMILESCc1cncc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H6ClNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3
InChIKeyMSJZQOHFAWAQMR-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.32
Rot. Bonds1

About 5-methylpyridine-3-sulfonyl chloride

5-methylpyridine-3-sulfonyl chloride (PubChem CID 22674176) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 5-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-methylpyridine-3-sulfonyl chloride
PubChem CID22674176
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name5-methylpyridine-3-sulfonyl chloride
SMILESCc1cncc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H6ClNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3
InChIKeyMSJZQOHFAWAQMR-UHFFFAOYSA-N
XLogP1.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methylpyridine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 5-methylpyridine-3-sulfonyl chloride (CID 22674176) is 5-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 5-methylpyridine-3-sulfonyl chloride is Cc1cncc(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-methylpyridine-3-sulfonyl chloride?
The InChIKey is MSJZQOHFAWAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-5-2-6(4-8-3-5)11(7,9)10/h2-4H,1H3.
What are the key properties of 5-methylpyridine-3-sulfonyl chloride?
5-methylpyridine-3-sulfonyl chloride has a molecular weight of 191.64 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 22674176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).