Basic information
- CAS
885268-74-6- Standard SMILES
O=C(O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1- InChIKey
XFJHFJZYIFCWGW-UHFFFAOYSA-N- Molecular formula
- C14H12FNO4S
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.0471072
Names & identifiers
- Preferred name
- 4-(((3-Fluorophenyl)sulfonamido)methyl)benzoic acid
- IUPAC
- 4-[[(3-fluorophenyl)sulfonylamino]methyl]benzoic acid
- English name
- 4-(([(3-Fluorophenyl)sulfonyl]amino)methyl)benzoic acid
- Molecular formula
- C14H12FNO4S
- Molecular weight
- 309.31
Names & synonyms
4-(((3-fluorophenyl)sulfonamido)methyl)benzoic acid885268-74-64-[[[(3-Fluorophenyl)sulfonyl]amino]methyl]benzoic acid4-[[(3-fluorophenyl)sulfonylamino]methyl]benzoic acidDTXSID501205086AKOS000813639F9995-05914-{[(3-Fluorobenzene-1-sulfonyl)amino]methyl}benzoic acid4-(([(3-Fluorophenyl)sulfonyl]amino)methyl)benzoic acidBENZOIC ACID, 4-[[[(3-FLUOROPHENYL)SULFONYL]AMINO]METHYL]-
Database identifiers
- CAS
885268-74-6- PubChem CID
- 25755914
- DTXSID
DTXSID501205086
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 521.1 · 521.1±60.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
Chemistry & industry
Suppliers1 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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