Basic information
- CAS
885268-88-2- Standard SMILES
O=C(O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1- InChIKey
YEQSJHXEZXJGNU-UHFFFAOYSA-N- Molecular formula
- C14H12FNO4S
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.0471072
Names & identifiers
- Preferred name
- 4-(((2-Fluorophenyl)sulfonamido)methyl)benzoic acid
- IUPAC
- 4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoic acid
- English name
- 4-(([(2-FLUOROPHENYL)SULFONYL]AMINO)METHYL)BENZOIC ACID
- Molecular formula
- C14H12FNO4S
- Molecular weight
- 309.31
Names & synonyms
4-(((2-fluorophenyl)sulfonamido)methyl)benzoic acid885268-88-24-[[[(2-Fluorophenyl)sulfonyl]amino]methyl]benzoic acid4-[[(2-fluorophenyl)sulfonylamino]methyl]benzoic acidF9995-0431DTXSID201205332SMSSF-0552802AKOS000813732p-[(o-fluorophenylsulfonylamino)methyl]benzoic acid4-{[(2-Fluorobenzene-1-sulfonyl)amino]methyl}benzoic acid4-(([(2-FLUOROPHENYL)SULFONYL]AMINO)METHYL)BENZOIC ACIDBENZOIC ACID, 4-[[[(2-FLUOROPHENYL)SULFONYL]AMINO]METHYL]-
Database identifiers
- CAS
885268-88-2- PubChem CID
- 25755918
- DTXSID
DTXSID201205332
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
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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