Basic information
- CAS
27455-36-3- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(=O)c2cc(Cl)ccc2o1- InChIKey
CWAHPGMPLIRWSB-UHFFFAOYSA-N- Molecular formula
- C21H14ClN3O5S
- Average molar mass
- 455.9 g/mol
- Monoisotopic mass
- 455.0342694
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carboxanilide, 6-chloro-4-oxo-4'-(2-pyridylsulfamoyl)-
- IUPAC
- 6-chloro-4-oxo-N-[4-(pyridin-2-ylsulfamoyl)phenyl]chromene-2-carboxamide
- English name
- 6-Chloro-4-oxo-N-[4-(2-pyridylsulfamoyl)phenyl]-4H-1-benzopyran-2-carboxamide
- Molecular formula
- C21H14ClN3O5S
- Molecular weight
- 455.87
Names & synonyms
BRN 046268227455-36-34H-1-BENZOPYRAN-2-CARBOXANILIDE, 6-CHLORO-4-OXO-4'-(2-PYRIDYLSULFAMOYL)-DTXSID301818716-Chloro-4-oxo-4'-(2-pyridylsulfamoyl)-4H-1-benzopyran-2-carboxanilideRefChem:297186DTXCID701043626-Chloro-4-oxo-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}-4H-1-benzopyran-2-carboxamide6-Chloro-4-oxo-N-[4-(2-pyridylsulfamoyl)phenyl]-4H-1-benzopyran-2-carboxamide4H-1-Benzopyran-2-carboxamide, 6-chloro-4-oxo-N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
Database identifiers
- CAS
27455-36-3- PubChem CID
- 33860
- DTXSID
DTXSID30181871- Nikkaji
- J132.083A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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