Basic information
- Standard SMILES
Cc1ccc(-c2ccc(Cl)cc2Cl)n1-c1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
GSUSKYCYXMXNHX-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2N2O2S
- Average molar mass
- 449.4 g/mol
Names & identifiers
- Preferred name
- 1-{4-[2-(2,4-Dichloro-phenyl)-5-methyl-pyrrol-1-yl]-benzenesulfonyl}-piperidine
- IUPAC
- 1-[4-[2-(2,4-dichlorophenyl)-5-methylpyrrol-1-yl]phenyl]sulfonylpiperidine
Names & synonyms
SCHEMBL3030118GSUSKYCYXMXNHX-UHFFFAOYSA-N1-{4-[2-(2,4-dichloro-phenyl)-5-methyl-pyrrol-1-yl]-benzenesulfonyl}-piperidine
Database identifiers
- PubChem CID
- 68486248
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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