N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-4-methoxybenzenesulfonamide
Basic information
- CAS
606105-24-2- Standard SMILES
COc1ccc(S(=O)(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1- InChIKey
GJXBEAANQYQUBT-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.12561169
Names & identifiers
- Preferred name
- N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-4-methoxybenzenesulfonamide
- IUPAC
- N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-4-methoxybenzenesulfonamide
- English name
- Benzenesulfonamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-4-methoxy- (9CI)
- Molecular formula
- C20H20N4O3S
- Molecular weight
- 396.46
Names & synonyms
606105-24-2N-(2-((3-Cyano-8-methylquinolin-2-yl)amino)ethyl)-4-methoxybenzenesulfonamideN-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-4-methoxybenzenesulfonamideDTXSID40390437N-{2-[(3-Cyano-8-methyl-2-quinolinyl)amino]ethyl}-4-methoxybenzenesulfonamideN-{2-[(3-Cyano-8-methylquinolin-2-yl)amino]ethyl}-4-methoxybenzene-1-sulfonamideBenzenesulfonamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-4-methoxy-Benzenesulfonamide, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-4-methoxy- (9CI)
Database identifiers
- CAS
606105-24-2- PubChem CID
- 3217022
- DTXSID
DTXSID40390437
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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