Basic information
- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1- InChIKey
MEFRXIIWAJLYTB-UHFFFAOYSA-N- Molecular formula
- C13H10FNO4S
- Average molar mass
- 295.29 g/mol
Names & identifiers
- Preferred name
- 3-{[(3-Fluorophenyl)amino]sulfonyl}benzoic acid
- IUPAC
- 3-[(3-fluorophenyl)sulfamoyl]benzoic acid
Names & synonyms
3-{[(3-FLUOROPHENYL)AMINO]SULFONYL}BENZOIC ACIDOprea1_417467Oprea1_530075SCHEMBL400223MEFRXIIWAJLYTB-UHFFFAOYSA-NAKOS000137821UPCMLD0ENAT5993414:001Z45634199
Database identifiers
- PubChem CID
- 766536
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
Related reactions
9 records
Compound notes
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