Basic information
- Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(C(=O)O)cc2Cl)c(OC)c1- InChIKey
KJFQYJSFVDRCPO-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O6S2
- Average molar mass
- 468.9 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoic acid
- IUPAC
- 3-chloro-4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]benzoic acid
Names & synonyms
SCHEMBL3160997KJFQYJSFVDRCPO-UHFFFAOYSA-N3-Chloro-4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoic acid
Database identifiers
- PubChem CID
- 57732031
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Related reactions
1 records
Compound notes
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