Basic information
- CAS
59206-66-5- Standard SMILES
COC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccccc3)cc2[nH]1- InChIKey
ZUZYOMXFDWJOET-UHFFFAOYSA-N- Molecular formula
- C15H13N3O5S
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.0575917
Names & identifiers
- Preferred name
- 2-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester)
- IUPAC
- [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] benzenesulfonate
Names & synonyms
59206-66-52-BENZIMIDAZOLECARBAMIC ACID, 5-HYDROXY-, METHYL ESTER, BENZENESULFONATE (ester)SO-FbdzBRN 0766824N(Phenylsulfoxy-5, benzimidazolyl)2, carbamate de methyle [French]Methyl N-(2-(5-phenylsulfoxy)benzimidazolyl) carbamateN-(2-(5-Phenylsulfoxy)benzimidazolyl) methyl carbamateSCHEMBL11860103DTXSID50207946N(Phenylsulfoxy-5, benzimidazolyl)2, carbamate de methyle2-[(Methoxycarbonyl)amino]-1H-1,3-benzimidazol-6-yl benzenesulfonate
Database identifiers
- CAS
59206-66-5- PubChem CID
- 42979
- DTXSID
DTXSID50207946- Nikkaji
- J69.192E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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