Basic information
- Standard SMILES
CNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2ccccc2)c1C.Cl- InChIKey
DVIXIUMOESOQJB-UHFFFAOYSA-N- Molecular formula
- C19H20ClFN2O2S
- Average molar mass
- 394.9 g/mol
- Monoisotopic mass
- 394.0918049
Names & identifiers
- Preferred name
- 1-[5-(4-Fluorophenyl)-2-methyl-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine hydrochloride
- IUPAC
- 1-[1-(benzenesulfonyl)-5-(4-fluorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
Names & synonyms
SCHEMBL1157074DVIXIUMOESOQJB-UHFFFAOYSA-N1-[5-(4-Fluorophenyl)-2-methyl-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine hydrochloride
Database identifiers
- PubChem CID
- 66925201
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
1 records
Compound notes
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