Basic information
- CAS
80517-23-3- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)O)cc1- InChIKey
ZNJNCDCWYADOHH-UHFFFAOYSA-N- Molecular formula
- C14H12FNO4S
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.0471072
Names & identifiers
- Preferred name
- 4-Fluoro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid
- IUPAC
- 4-fluoro-2-[(4-methylphenyl)sulfonylamino]benzoic acid
Names & synonyms
SCHEMBL23200296DTXSID301202567AKOS00905457280517-23-34-Fluoro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid4-Fluoro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid
Database identifiers
- CAS
80517-23-3- PubChem CID
- 25751195
- DTXSID
DTXSID301202567
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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