5-Chloro-2-[2-[[4-[(4-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
Basic information
- CAS
21447-17-6- Standard SMILES
O=C(COc1ccc(Cl)cc1C(=O)O)NCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1- InChIKey
FQHHDJPAQJHQMN-UHFFFAOYSA-N- Molecular formula
- C23H19ClFN3O7S
- Average molar mass
- 535.9 g/mol
- Monoisotopic mass
- 535.061627
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-[[4-[(4-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
- IUPAC
- 5-chloro-2-[2-[[4-[(4-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
Names & synonyms
21447-17-6NSC2120485-chloro-2-[2-[[4-[(4-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acidDTXSID40309468NSC-2120485-Chloro-2-[2-({[4-({[4-(fluorosulfonyl)phenyl]carbamoyl}amino)phenyl]methyl}amino)-2-oxoethoxy]benzoic acid
Database identifiers
- CAS
21447-17-6- PubChem CID
- 309683
- DTXSID
DTXSID40309468
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 871
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…