Basic information
- Standard SMILES
COc1ccc(CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1- InChIKey
KKUCMJRBXRBDLZ-UHFFFAOYSA-N- Molecular formula
- C22H20ClNO5S
- Average molar mass
- 445.9 g/mol
Names & identifiers
- Preferred name
- 4-(N-(3-chlorobenzyl)-N-(4-methoxybenzyl)sulfamoyl)benzoic acid
- IUPAC
- 4-[(3-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid
Names & synonyms
SCHEMBL1279662CHEMBL3931998KKUCMJRBXRBDLZ-UHFFFAOYSA-NBDBM211093US9247759, 5-144-(N-(3-chlorobenzyl)-N-(4-methoxybenzyl)sulfamoyl)benzoic acid
Database identifiers
- PubChem CID
- 25205355
- ChEMBL
CHEMBL3931998
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
Related reactions
5 records
Compound notes
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