Basic information
- CAS
18704-97-7- Standard SMILES
O=C(COc1ccc(Cl)cc1C(=O)O)Nc1cccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)c1- InChIKey
QMHCZXZLOXJERH-UHFFFAOYSA-N- Molecular formula
- C22H17ClFN3O7S
- Average molar mass
- 521.9 g/mol
- Monoisotopic mass
- 521.0459769
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-[3-[(3-fluorosulfonylphenyl)carbamoylamino]anilino]-2-oxoethoxy]benzoic acid
- IUPAC
- 5-chloro-2-[2-[3-[(3-fluorosulfonylphenyl)carbamoylamino]anilino]-2-oxoethoxy]benzoic acid
Names & synonyms
CHEMBL332598018704-97-7NSC2118995-chloro-2-[2-[3-[(3-fluorosulfonylphenyl)carbamoylamino]anilino]-2-oxoethoxy]benzoic acidDTXSID80309402BDBM50054958NSC-2118995-Chloro-2-{2-[3-({[3-(fluorosulfonyl)phenyl]carbamoyl}amino)anilino]-2-oxoethoxy}benzoic acid
Database identifiers
- CAS
18704-97-7- PubChem CID
- 309591
- DTXSID
DTXSID80309402- ChEMBL
CHEMBL3325980
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 872
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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