Basic information
- Standard SMILES
N#Cc1cccc(CN2CC(NS(=O)(=O)c3ccccc3)Cc3cc(-c4ccc(F)cc4)ccc32)c1- InChIKey
ALMODRKETMFJBY-UHFFFAOYSA-N- Molecular formula
- C29H24FN3O2S
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- N-(1-(3-Cyanobenzyl)-6-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
- IUPAC
- N-[1-[(3-cyanophenyl)methyl]-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
Names & synonyms
SCHEMBL653291ALMODRKETMFJBY-UHFFFAOYSA-NN-(1-(3-Cyanobenzyl)-6-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
Database identifiers
- PubChem CID
- 59778170
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 869
Related reactions
3 records
Compound notes
Loading…