chempirical

2-Cyanobenzenesulphonyl chloride

C7H4ClNO2SCAS 69360-26-5201.62 g/mol

Open in Covalent MOL file
NSOOCl
Nitrile

Properties

Molecular formula
C7H4ClNO2S
Molar mass
201.62 g/mol
Exact mass
200.9651 Da
logP
1.49Crippen estimate
Polar surface area
57.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69360-26-5
SMILES
C1=CC=C(C(=C1)C#N)S(=O)(=O)Cl
InChIKey
NQAYCMBZPAARNO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H

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Names and synonyms

1 names
  • 2-Cyanobenzenesulfonyl chloride

Work with 2-Cyanobenzenesulphonyl 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

1,2-Benzenedisulfonyl dichloride6461-76-362 % similar 2-Chlorobenzenesulfonyl chloride2905-23-952 % similar 2-Bromobenzenesulphonyl chloride2905-25-152 % similar 2-Methoxybenzenesulfonyl chloride10130-87-750 % similar 2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-150 % similar 2-Methylbenzenesulfonyl chloride133-59-550 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-450 % similar 2-Fluorobenzenesulfonyl chloride2905-21-750 % similar

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

Same formula

3-Cyanobenzene-1-sulfonyl chloride56542-67-7

Elsewhere

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