2-Chloro-5-[(2,2,2-trifluoroethylamino)sulfonyl]-4-fluorobenzoic acid

HCID 58728529

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

Related reactions

3 records

Compound notes

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