Basic information
- Standard SMILES
CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)nc1- InChIKey
IKIQKDFNKVLPJC-UHFFFAOYSA-N- Molecular formula
- C21H28FN3O5S2
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.14544151
Names & identifiers
- Preferred name
- 6-(1-Methanesulfonyl-piperidin-4-yloxy)-pyridine-3-sulfonic acid (4-fluoro-phenyl)-isobutyl-amide
- IUPAC
- N-(4-fluorophenyl)-N-(2-methylpropyl)-6-(1-methylsulfonylpiperidin-4-yl)oxypyridine-3-sulfonamide
Names & synonyms
SCHEMBL15772255IKIQKDFNKVLPJC-UHFFFAOYSA-N6-(1-Methanesulfonyl-piperidin-4-yloxy)-pyridine-3-sulfonic acid (4-fluoro-phenyl)-isobutyl-amide
Database identifiers
- PubChem CID
- 76284181
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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