1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine

C19H19FN2O2S — CID 66925186

IUPAC1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H19FN2O2S/c1-14-3-9-18(10-4-14)25(23,24)22-13-15(12-21-2)11-19(22)16-5-7-17(20)8-6-16/h3-11,13,21H,12H2,1-2H3
InChIKeySDMOMHBQHTZHJA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.56
Rot. Bonds5

About 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine

1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66925186) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66925186
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H19FN2O2S/c1-14-3-9-18(10-4-14)25(23,24)22-13-15(12-21-2)11-19(22)16-5-7-17(20)8-6-16/h3-11,13,21H,12H2,1-2H3
InChIKeySDMOMHBQHTZHJA-UHFFFAOYSA-N
XLogP3.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine (CID 66925186) is 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is SDMOMHBQHTZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-14-3-9-18(10-4-14)25(23,24)22-13-15(12-21-2)11-19(22)16-5-7-17(20)8-6-16/h3-11,13,21H,12H2,1-2H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 358.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66925186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).