Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(N2CCN(CC(O)COc3ccccc3)CC2)cc1- InChIKey
WXAGJQFTYBUBAZ-UHFFFAOYSA-N- Molecular formula
- C20H27N3O4S
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]phenyl]methanesulfonamide
- IUPAC
- N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]phenyl]methanesulfonamide
Names & synonyms
CHEMBL98575SCHEMBL8781535WXAGJQFTYBUBAZ-UHFFFAOYSA-NBDBM50228536N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]phenyl]methanesulfonamide
Database identifiers
- PubChem CID
- 14739896
- ChEMBL
CHEMBL98575- Nikkaji
- J350.753J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Related reactions
2 records
Compound notes
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