5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-(dimethylaminomethyl)-4-methylpyridine-2-carboxamide
Basic information
- Standard SMILES
Cc1cc(C(=O)NCN(C)C)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1- InChIKey
INKUVWJLCWRFJV-UHFFFAOYSA-N- Molecular formula
- C23H22F3N3O3S
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.13339723
Names & identifiers
- Preferred name
- 5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-(dimethylaminomethyl)-4-methylpyridine-2-carboxamide
- IUPAC
- 5-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfonylmethyl]-N-[(dimethylamino)methyl]-4-methylpyridine-2-carboxamide
Names & synonyms
SCHEMBL597499INKUVWJLCWRFJV-UHFFFAOYSA-N5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-(dimethylaminomethyl)-4-methylpyridine-2-carboxamide
Database identifiers
- PubChem CID
- 57736456
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 756
Related reactions
1 records
Compound notes
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