2-(5-chlorothiophen-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
Basic information
- CAS
438455-09-5- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12- InChIKey
RVTUNEAVKZUOCL-UHFFFAOYSA-N- Molecular formula
- C24H16ClN5O3S2
- Average molar mass
- 522 g/mol
- Monoisotopic mass
- 521.0383094
Names & identifiers
- Preferred name
- 2-(5-chlorothiophen-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
- IUPAC
- 2-(5-chlorothiophen-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
- English name
- 2-(5-chloro-2-thienyl)-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-4-quinolinecarboxamide
- Molecular formula
- C24H16ClN5O3S2
- Molecular weight
- 521.99854
Names & synonyms
Oprea1_366999STK332882AKOS0032733742-(5-chlorothiophen-2-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamideAK-968/129751352-(5-chloro-2-thienyl)-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-4-quinolinecarboxamide
Database identifiers
- CAS
438455-09-5- PubChem CID
- 1744413
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 830
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Compound notes
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