Basic information
- Standard SMILES
CC(O)(C(=O)Nc1ccc(S(=O)c2ccc(C(=O)O)cc2)cc1Cl)C(F)(F)F- InChIKey
CVDRESYOEUXFFV-UHFFFAOYSA-N- Molecular formula
- C17H13ClF3NO5S
- Average molar mass
- 435.8 g/mol
Names & identifiers
- Preferred name
- 4-[3-Chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfinylbenzoic acid
- IUPAC
- 4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfinylbenzoic acid
Names & synonyms
SCHEMBL6350081
Database identifiers
- PubChem CID
- 22287367
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 626
Related reactions
1 records
Compound notes
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