5-Chloro-2-[2-[[3-[(3-fluorosulfonyl-4-methylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
Basic information
- CAS
20167-17-3- Standard SMILES
Cc1ccc(NC(=O)Nc2cccc(CNC(=O)COc3ccc(Cl)cc3C(=O)O)c2)cc1S(=O)(=O)F- InChIKey
HZARVHQVFQVNBU-UHFFFAOYSA-N- Molecular formula
- C24H21ClFN3O7S
- Average molar mass
- 550 g/mol
- Monoisotopic mass
- 549.077277
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-[[3-[(3-fluorosulfonyl-4-methylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
- IUPAC
- 5-chloro-2-[2-[[3-[(3-fluorosulfonyl-4-methylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
Names & synonyms
20167-17-3NSC2120545-chloro-2-[2-[[3-[(3-fluorosulfonyl-4-methylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acidDTXSID00309469NSC-2120545-Chloro-2-[2-({[3-({[3-(fluorosulfonyl)-4-methylphenyl]carbamoyl}amino)phenyl]methyl}amino)-2-oxoethoxy]benzoic acid
Database identifiers
- CAS
20167-17-3- PubChem CID
- 309685
- DTXSID
DTXSID00309469
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 919
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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