Basic information
- Standard SMILES
CCCN1CC(c2ccc(NS(=O)(=O)c3ccc(CCCF)cc3)cc2)C1- InChIKey
XZJLRBYUJNRERQ-UHFFFAOYSA-N- Molecular formula
- C21H27FN2O2S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 4-(3-Fluoro-propyl)-N-[4-(1-propyl-azetidin-3-yl)-phenyl]-benzenesulfonamide
- IUPAC
- 4-(3-fluoropropyl)-N-[4-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
Names & synonyms
SCHEMBL1546184XZJLRBYUJNRERQ-UHFFFAOYSA-N4-(3-Fluoro-propyl)-N-[4-(1-propyl-azetidin-3-yl)-phenyl]-benzenesulfonamide
Database identifiers
- PubChem CID
- 53628672
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Related reactions
2 records
Compound notes
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