5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-ethyl-4-methylpyridine-2-carboxamide
Basic information
- Standard SMILES
CCNC(=O)c1cc(C)c(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(F)cc2)cn1- InChIKey
IUFSNVAJQPOCCT-UHFFFAOYSA-N- Molecular formula
- C22H19F3N2O3S
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.10684813
Names & identifiers
- Preferred name
- 5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-ethyl-4-methylpyridine-2-carboxamide
- IUPAC
- 5-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfonylmethyl]-N-ethyl-4-methylpyridine-2-carboxamide
Names & synonyms
SCHEMBL595772IUFSNVAJQPOCCT-UHFFFAOYSA-N5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-ethyl-4-methylpyridine-2-carboxamide
Database identifiers
- PubChem CID
- 57736545
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
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