Basic information
- Standard SMILES
COc1ccc(CN(c2ccnc(F)n2)S(=O)(=O)c2cc(F)c(F)cc2F)c(OC)c1- InChIKey
CTARPUYLWAWLLJ-UHFFFAOYSA-N- Molecular formula
- C19H15F4N3O4S
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.07193979
Names & identifiers
- Preferred name
- N-(2,4-dimethoxybenzyl)-2,4,5-trifluoro-N-(2-fluoropyrimidin-4-yl)benzenesulfonamide
- IUPAC
- N-[(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluoro-N-(2-fluoropyrimidin-4-yl)benzenesulfonamide
Names & synonyms
SCHEMBL15464510CTARPUYLWAWLLJ-UHFFFAOYSA-NN-(2,4-dimethoxybenzyl)-2,4,5-trifluoro-N-(2-fluoropyrimidin-4-yl)benzenesulfonamide
Database identifiers
- PubChem CID
- 89962306
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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