Basic information
- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1- InChIKey
CPAJSOGQAMJKQJ-UHFFFAOYSA-N- Molecular formula
- C14H9F4NO4S
- Average molar mass
- 363.29 g/mol
- Monoisotopic mass
- 363.01884159
Names & identifiers
- Preferred name
- 4-[N-(4-fluoro-3-trifluoromethylphenyl)sulfamoyl)benzoic acid
- IUPAC
- 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
Names & synonyms
4-[N-(4-fluoro-3-trifluoromethylphenyl)sulfamoyl)benzoic acid4-[N-(4-fluoro-3-trifluoromethylphenyl)sulfamoyl]benzoic acidSCHEMBL9321119AKOS008814702AB00018028-014-[N-(4-Fluoro-3-trifluoromethylphenyl)sulfamoyl]-benzoic acid
Database identifiers
- PubChem CID
- 3699990
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 552
Related reactions
12 records
Compound notes
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