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

C6H3ClN2O2S2CAS 73713-79-8234.67 g/mol

Open in Covalent MOL file
OSOClNSN

Properties

Molecular formula
C6H3ClN2O2S2
Molar mass
234.67 g/mol
Exact mass
233.9324 Da
Melting point
163–165 °C
logP
1.62Crippen estimate
Polar surface area
59.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
73713-79-8
SMILES
O=S(=O)(Cl)c1cccc2nsnc12
InChIKey
CXAICGCTHOWKPP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O2S2/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
  • 2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
  • Benzo[c]-1,2,5-thiadiazole-4-sulfonyl chloride
  • 4-Chlorosulfonyl-2,1,3-benzothiadiazole
  • 2λ4δ2-2,1,3-Benzothiadiazole-4-sulfonyl chloride

Work with 2,1,3-Benzothiadiazole-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-Benzoxadiazole-4-sulfonyl chloride114322-14-457 % similar 8-Quinolinesulfonyl chloride18704-37-550 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-448 % similar 1,2-Benzenedisulfonyl dichloride6461-76-348 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-546 % similar 2-Chlorobenzenesulfonyl chloride2905-23-946 % similar 2,1,3-Benzothiadiazol-4-amine767-64-646 % similar 2-Chloropyridine-3-sulfonyl chloride6684-06-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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