3-Methylpyridine-2-sulfonyl chloride

HCID 12295461

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cccnc1S(=O)(=O)Cl
InChIKey: SRYKQBAZBAROTC-UHFFFAOYSA-N
Molecular formula: C6H6ClNO2S
Average molar mass: 191.64 g/mol
Monoisotopic mass: 190.9807773

Names & identifiers

Preferred name: 3-Methylpyridine-2-sulfonyl chloride
IUPAC: 3-methylpyridine-2-sulfonyl chloride

Names & synonyms

3-methylpyridine-2-sulfonyl chloride281221-72-53-methyl-pyridine-2-sulfonyl chlorideMFCD166977402-Pyridinesulfonyl chloride, 3-methyl-SCHEMBL1039344SRYKQBAZBAROTC-UHFFFAOYSA-NGS2904SY369035DB-339460E79822EN300-274220

Database identifiers

PubChem CID: 12295461

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 221

Related reactions

12 records

New reaction record

HRID 107579As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 799363As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 869740As reactantuspto-grants-2015_03

HRID 880842As reactantuspto-grants-2015_03

HRID 1227005As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1575346As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2047902As reactantuspto-grants-2013_11

HRID 2115381As reactantuspto-grants-2008_10

Compound notes

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