Basic information
- CAS
653588-66-0- Standard SMILES
O=C(O)CS(=O)(=O)c1ccc(-c2cccc(C(=O)Nc3ccccc3)c2)cc1- InChIKey
RUEQIEWECZLBEN-UHFFFAOYSA-N- Molecular formula
- C21H17NO5S
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.08274382
Names & identifiers
- Preferred name
- 2-[4-[3-(Phenylcarbamoyl)phenyl]phenyl]sulfonylacetic acid
- IUPAC
- 2-[4-[3-(phenylcarbamoyl)phenyl]phenyl]sulfonylacetic acid
Names & synonyms
2-[4-[3-(phenylcarbamoyl)phenyl]phenyl]sulfonylacetic acidCHEMBL174332653588-66-0DTXSID70333650BDBM50137924Acetic acid, [[3'-[(phenylamino)carbonyl][1,1'-biphenyl]-4-yl]sulfonyl]-(3''-Phenylcarbamoyl-biphenyl-4-sulfonyl)-acetic acid[3'-(Phenylcarbamoyl)[1,1'-biphenyl]-4-sulfonyl]acetic acid
Database identifiers
- CAS
653588-66-0- PubChem CID
- 515151
- DTXSID
DTXSID70333650- ChEMBL
CHEMBL174332
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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