Completing data — usually done within a minute
Basic information
- CAS
885051-42-3- Standard SMILES
NS(=O)(=O)c1cc(C(=O)OCc2ccccc2)c(NCc2ccco2)cc1Cl- InChIKey
CLRZNRZEVZOSOW-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O5S
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.0546705
Names & identifiers
- Preferred name
- Benzyl 5-aminosulfonyl-4-chloro-2-[(2-furanylmethyl)amino]benzoate
- IUPAC
- benzyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
Names & synonyms
885051-42-3SCHEMBL230206CLRZNRZEVZOSOW-UHFFFAOYSA-NDTXSID601145396benzyl 5-aminosulfonyl-4-chloro-2-[(2-furanylmethyl)amino]benzoateDB-429543benzyl 4-chloro-2-((furan-2-ylmethyl)amino)-5-sulfamoylbenzoateBenzyl 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoatePhenylmethyl 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoate
Database identifiers
- CAS
885051-42-3- PubChem CID
- 11697463
- DTXSID
DTXSID601145396
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Related reactions
2 records
Compound notes
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