Methyl N-[6-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate

HCID 15124047CAS 79213-74-4

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Basic information

Standard SMILES: COC(=O)Nc1nc2ccc(S(=O)(=O)Cl)cc2[nH]1
InChIKey: FPAKSOQSBLHGDU-UHFFFAOYSA-N
Molecular formula: C9H8ClN3O4S
Average molar mass: 289.7 g/mol
Monoisotopic mass: 288.99240442

Names & identifiers

Preferred name: Methyl N-[6-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate
IUPAC: methyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate
English name: Methyl [5-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate
Molecular formula: C9H8ClN3O4S
Molecular weight: 289.698

Names & synonyms

79213-74-4Methyl N-(6-(chlorosulfonyl)-1H-benzimidazol-2-yl)carbamateMethyl N-[6-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamateRefChem:356741methyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamateMethyl [6-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamateMethyl (5-(chlorosulfonyl)-1H-benzo[d]imidazol-2-yl)carbamatemethyl N-[5-(chlorosulfonyl)-1H-1,3-benzodiazol-2-yl]carbamateCarbamic acid, [5-(chlorosulfonyl)-1H-benzimidazol-2-yl]-, methyl esterN-[6-(chlorosulfonyl)-1H-benzimidazol-2-yl]-Carbamic acid methyl ester[5-(chlorosulfonyl)-1H-benzimidazol-2-yl]-Carbamic acid methyl ester (9CI); Methyl [5-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate; 2-[(methoxycarbonyl)-amino]-1H-benzimidazole-5-sulfonylchlorideorb3216235

Show more names

m90109Methyl [5-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate

SCHEMBL4386009SCHEMBL4862487SCHEMBL9867724DTXSID80568597FPAKSOQSBLHGDU-UHFFFAOYSA-NMFCD12022612AKOS007929918AT38939

Database identifiers

CAS: 79213-74-4
PubChem CID: 15124047
DTXSID: DTXSID80568597

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 110 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 424

Physicochemical properties

solubility: soluble in Chlorosulfuric Acid
form: Solid
color: Off-White

Chemistry & industry

Applications

UsesN-[6-(chlorosulfonyl)-1H-benzimidazol-2-yl]-Carbamic acid methyl ester has been used in the preparation of 1-(1H-benzimidazole-2-yl)urea derivatives for pharmacological use as human acrosin inhibitors.