Basic information
- Standard SMILES
COc1ccc(CNc2cc(C(c3cc(F)ccc3F)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)cn2)cc1OC- InChIKey
VOKHLYQLGWICBF-UHFFFAOYSA-N- Molecular formula
- C27H22Cl2F2N2O4S
- Average molar mass
- 579.4 g/mol
- Monoisotopic mass
- 578.0645401
Names & identifiers
- Preferred name
- 5-Chloro-4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxybenzylamino)pyridine
- IUPAC
- 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridin-2-amine
Names & synonyms
SCHEMBL1632261VOKHLYQLGWICBF-UHFFFAOYSA-N5-Chloro-4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxybenzylamino)pyridine
Database identifiers
- PubChem CID
- 23114751
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 845
Related reactions
2 records
Compound notes
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