chempirical

2,1,3-Benzoxadiazole-4-sulfonyl chloride

C6H3ClN2O3SCAS 114322-14-4218.61 g/mol

Open in Covalent MOL file
OSOClNON

Properties

Molecular formula
C6H3ClN2O3S
Molar mass
218.61 g/mol
Exact mass
217.9553 Da
Melting point
78–80 °C
logP
1.15Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
114322-14-4
SMILES
O=S(=O)(Cl)c1cccc2nonc12
InChIKey
SIYWVPMYOGMRDW-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H

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Names and synonyms

4 names
  • 4-Benzofurazansulfonyl chloride
  • Benzo[c]-1,2,5-oxadiazole-4-sulfonyl chloride
  • Benzo[1,2,5]oxadiazole-4-sulfonyl chloride
  • Benzo-2,1,3-oxadiazole-4-sulfonyl chloride

Work with 2,1,3-Benzoxadiazole-4-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

2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-857 % similar 8-Quinolinesulfonyl chloride18704-37-550 % similar 2-Chlorobenzenesulfonyl chloride2905-23-946 % similar 2,1,3-Benzoxadiazole-4-carboxaldehyde32863-32-445 % similar 2,1,3-Benzoxadiazol-4-amine767-63-544 % similar 2,3-Dichlorobenzenesulfonyl chloride82417-45-643 % similar 1-Naphthalenesulfonyl chloride85-46-143 % similar 3-Methyl-8-quinolinesulfonyl chloride74863-82-443 % similar

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

Elsewhere

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