Basic information
- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1- InChIKey
MGRFWMNQLHWSGX-UHFFFAOYSA-N- Molecular formula
- C19H17NO5S
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.08274382
Names & identifiers
- Preferred name
- 4-(N-benzyl-N-(furan-2-ylmethyl)sulfamoyl)benzoic acid
- IUPAC
- 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid
Names & synonyms
Oprea1_014947SCHEMBL1279234CHEMBL3932685MGRFWMNQLHWSGX-UHFFFAOYSA-NBDBM211084US9247759, 5-54-(N-benzyl-N-(furan-2-ylmethyl)sulfamoyl)benzoic acid
Database identifiers
- PubChem CID
- 24134643
- ChEMBL
CHEMBL3932685
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
Related reactions
6 records
Compound notes
Loading…