chempirical

3-Pyridinesulfonyl chloride

C5H4ClNO2SCAS 16133-25-8177.60 g/mol

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OSOClN

Properties

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

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

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Names and synonyms

2 names
  • m-Pyridinesulfonyl chloride
  • 3-Pyridylsulfonyl chloride

Work with 3-Pyridinesulfonyl 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

3-Pyridinesulfonic acid636-73-755 % similar 1,3-Benzenedisulfonyl dichloride585-47-754 % similar 3-Chlorobenzenesulfonyl chloride2888-06-447 % similar 5-Isoquinolinesulfonyl chloride84468-15-546 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-145 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-645 % similar [1,1′-Biphenyl]-4-sulfonyl chloride1623-93-444 % similar 4-Chlorobenzenesulfonyl chloride98-60-242 % similar

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

Elsewhere

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