Basic information
- Standard SMILES
O=S(=O)(Nc1ccc(CCNCC(O)COc2cccnc2)cc1)c1ccccc1- InChIKey
VNQDFZASGRYFMC-UHFFFAOYSA-N- Molecular formula
- C22H25N3O4S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.15657746
Names & identifiers
- Preferred name
- N-[4-[2-[(2-hydroxy-3-pyridin-3-yloxypropyl)amino]ethyl]phenyl]benzenesulfonamide
- IUPAC
- N-[4-[2-[(2-hydroxy-3-pyridin-3-yloxypropyl)amino]ethyl]phenyl]benzenesulfonamide
Names & synonyms
SCHEMBL8794651
Database identifiers
- PubChem CID
- 19385015
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Related reactions
1 records
Compound notes
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