Basic information
- Standard SMILES
C[C@H](NCc1cc(Cl)cc(Cl)c1)[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1- InChIKey
WSYWMSYLQAEVSY-BTDLBPIBSA-N- Molecular formula
- C17H20Cl2N2O4S
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 418.0520837
Names & identifiers
- Preferred name
- N-(5-((1R,2S)-2-(3,5-Dichlorobenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
- IUPAC
- N-[5-[(1R,2S)-2-[(3,5-dichlorophenyl)methylamino]-1-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
Names & synonyms
SCHEMBL1577533WSYWMSYLQAEVSY-BTDLBPIBSA-NN-(5-((1R,2S)-2-(3,5-Dichlorobenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methane-sulfonamideN-(5-((1R,2S)-2-(3,5-Dichlorobenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
Database identifiers
- PubChem CID
- 44628409
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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