N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
Basic information
- CAS
865278-20-2- Standard SMILES
NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1- InChIKey
WFDUUVQMEYMIMC-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.08341252
Names & identifiers
- Preferred name
- N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
- IUPAC
- N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
Names & synonyms
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamideMLS001175492CHEMBL1549134DTXSID001328148HMS2915E21AKOS007993789865278-20-2SMR000596090Z30932238
Database identifiers
- CAS
865278-20-2- PubChem CID
- 4785409
- DTXSID
DTXSID001328148- ChEMBL
CHEMBL1549134
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Experimental & physicochemical properties
Solubility3.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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