Basic information
- Standard SMILES
CNCc1cn(S(=O)(=O)c2ccc(C)cc2)c(-c2ccccc2)c1C.Cl- InChIKey
QBNJULFZKTZUFO-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O2S
- Average molar mass
- 390.9 g/mol
Names & identifiers
- Preferred name
- N-Methyl-1-{4-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}methanamine hydrochloride
- IUPAC
- N-methyl-1-[4-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine;hydrochloride
Names & synonyms
SCHEMBL1156660QBNJULFZKTZUFO-UHFFFAOYSA-NN-Methyl-1-{4-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}methanamine hydrochloride
Database identifiers
- PubChem CID
- 66924933
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
Loading…