Basic information
- Standard SMILES
Cc1cc(C)cc(CN[C@@H](C)[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1- InChIKey
PCMJWZRFWHAMQL-LIRRHRJNSA-N- Molecular formula
- C19H26N2O4S
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- N-(5-((1R,2S)-2-(3,5-Dimethylbenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
- IUPAC
- N-[5-[(1R,2S)-2-[(3,5-dimethylphenyl)methylamino]-1-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
Names & synonyms
SCHEMBL1577088PCMJWZRFWHAMQL-LIRRHRJNSA-NN-(5-((1R,2S)-2-(3,5-Dimethylbenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methane-sulfonamideN-(5-((1R,2S)-2-(3,5-Dimethylbenzylamino)-1-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
Database identifiers
- PubChem CID
- 44628484
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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