2'-(((4-((2-(4-Bromophenyl)-2-oxoethyl)sulfonyl)phenyl)amino)carbonyl)-(1,1'-biphenyl)-2-carboxylic acid
Basic information
- CAS
160986-39-0- Standard SMILES
O=C(CS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1)c1ccc(Br)cc1- InChIKey
OKTLWPQLEWHHLY-UHFFFAOYSA-N- Molecular formula
- C28H20BrNO6S
- Average molar mass
- 578.4 g/mol
- Monoisotopic mass
- 577.01947
Names & identifiers
- Preferred name
- 2'-(((4-((2-(4-Bromophenyl)-2-oxoethyl)sulfonyl)phenyl)amino)carbonyl)-(1,1'-biphenyl)-2-carboxylic acid
- IUPAC
- 2-[2-[[4-[2-(4-bromophenyl)-2-oxoethyl]sulfonylphenyl]carbamoyl]phenyl]benzoic acid
Names & synonyms
160986-39-02'-(((4-((2-(4-Bromophenyl)-2-oxoethyl)sulfonyl)phenyl)amino)carbonyl)-(1,1'-biphenyl)-2-carboxylic acidDTXSID201670482-[2-[[4-[2-(4-bromophenyl)-2-oxo-ethyl]sulfonylphenyl]carbamoyl]phenyl]benzoic acid2'-({4-[2-(4-Bromophenyl)-2-oxoethanesulfonyl]phenyl}carbamoyl)[1,1'-biphenyl]-2-carboxylic acid2'-[[[4-[[2-(4-Bromophenyl)-2-oxoethyl]sulfonyl]phenyl]amino]carbonyl]-[1,1'-biphenyl]-2- carboxylic acid
Database identifiers
- CAS
160986-39-0- PubChem CID
- 460394
- DTXSID
DTXSID20167048- Nikkaji
- J651.591F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 917
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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