Basic information
- Standard SMILES
O=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)c(F)cc1Cl- InChIKey
ZKYVFXLHSUHCOH-UHFFFAOYSA-N- Molecular formula
- C9H6ClF4NO4S
- Average molar mass
- 335.66 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-[(2,2,2-trifluoroethylamino)sulfonyl]-4-fluorobenzoic acid
- IUPAC
- 2-chloro-4-fluoro-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
Names & synonyms
2-chloro-5-[(2,2,2-trifluoroethylamino)sulfonyl]-4-fluorobenzoic acidSCHEMBL35259582-chloro-4-fluoro-5-{[(2,2,2-trifluoroethyl)amino]sulfonyl}benzoic acid
Database identifiers
- PubChem CID
- 58728529
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 464
Related reactions
3 records
Compound notes
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