Pyridine-3-sulfonyl chloride

C₅H₄ClNO₂SCAS 16133-25-8177.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄ClNO₂S
Molar mass: 177.60 g/mol
Exact mass: 176.9651 Da
logP: 1.01Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation13.5% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

16133-25-8

SMILES

O=S(=O)(Cl)c1cccnc1

InChIKey

CDRNYKLYADJTMN-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

3-Pyridinesulfonyl chloride
m-Pyridinesulfonyl chloride
3-Pyridylsulfonyl chloride

Work with Pyridine-3-sulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzenesulfonyl chloride98-09-956 % similar 3-Pyridinesulfonic acid636-73-755 % similar 1,3-Benzenedisulfonyl dichloride585-47-754 % similar 2-Chloro-5-pyridinesulfonyl chloride6684-39-548 % similar 5-Bromopyridine-3-sulfonyl chloride65001-21-047 % similar 3-Chlorobenzenesulfonyl chloride2888-06-447 % similar 5-Isoquinolinesulfonyl chloride84468-15-546 % similar 3-Fluorobenzenesulfonyl chloride701-27-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyridine-2-sulfonyl chloride66715-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook