Benzenesulfonamide, 4-(((6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylene)amino)-N-((phenylamino)carbonyl)-
Basic information
- CAS
198649-71-7- Standard SMILES
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(N=Cc2coc3ccc(Cl)cc3c2=O)cc1- InChIKey
HJLDIVJARSLWBK-UHFFFAOYSA-N- Molecular formula
- C23H16ClN3O5S
- Average molar mass
- 481.9 g/mol
- Monoisotopic mass
- 481.0499195
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-(((6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylene)amino)-N-((phenylamino)carbonyl)-
- IUPAC
- 1-[4-[(6-chloro-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylurea
- English name
- Benzenesulfonamide, 4-(((6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylene )amino)-N-((phenylamino)carbonyl)-
- Molecular formula
- C23H16ClN3O5S
- Molecular weight
- 481.91
Names & synonyms
198649-71-7Benzenesulfonamide, 4-(((6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylene)amino)-N-((phenylamino)carbonyl)-3-{4-[(E)-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]amino]benzenesulfonyl}-1-phenylurea4-(((6-Chloro-4-oxo-4H-chromen-3-yl)methylene)amino)-N-(phenylcarbamoyl)benzenesulfonamide1-[4-[(6-chloro-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonyl-3-phenylureaBenzenesulfonamide, 4-(((6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylene )amino)-N-((phenylamino)carboBenzenesulfonamide, 4-(((6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylene )amino)-N-((phenylamino)carbonyl)-
Database identifiers
- CAS
198649-71-7- PubChem CID
- 3075705
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 886
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 5.29 · 5.29±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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