Basic information
- Standard SMILES
Cn1cncc1C(C)(NCCCNS(=O)(=O)c1cccc(O)c1)c1ccc(C#N)c(F)c1- InChIKey
GBVWMUGNVZXUFB-UHFFFAOYSA-N- Molecular formula
- C22H24FN5O3S
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- N-{3-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylamino]-propyl}-3-hydroxy-benzenesulfonamide
- IUPAC
- N-[3-[[1-(4-cyano-3-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]amino]propyl]-3-hydroxybenzenesulfonamide
Names & synonyms
SCHEMBL7228470GBVWMUGNVZXUFB-UHFFFAOYSA-NN-{3-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylamino]-propyl}-3-hydroxy-benzenesulfonamide
Database identifiers
- PubChem CID
- 70026827
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 769
Related reactions
2 records
Compound notes
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