Basic information
- Standard SMILES
O=S(=O)(c1ccc(O)cc1)C1CCN(CCC=Cc2cccnc2)C1- InChIKey
GMEUMOUAHHUUTA-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3S
- Average molar mass
- 358.5 g/mol
Names & identifiers
- Preferred name
- (RS)-4-[1-(4-pyridin-3-yl-but-3-enyl)-pyrrolidine-3-sulfonyl]-phenol
- IUPAC
- 4-[1-(4-pyridin-3-ylbut-3-enyl)pyrrolidin-3-yl]sulfonylphenol
Names & synonyms
SCHEMBL6874346GMEUMOUAHHUUTA-UHFFFAOYSA-N(RS)-4-[1-(4-pyridin-3-yl-but-3-enyl)-pyrrolidine-3-sulfonyl]-phenol
Database identifiers
- PubChem CID
- 69923707
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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