3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine

C18H20FNO2S — CID 134960206

IUPAC3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO2S/c1-14-2-8-18(9-3-14)23(21,22)20-11-10-16(13-20)12-15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3
InChIKeyUZJINPLXVGWSLK-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.39
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine

3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 134960206) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID134960206
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO2S/c1-14-2-8-18(9-3-14)23(21,22)20-11-10-16(13-20)12-15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3
InChIKeyUZJINPLXVGWSLK-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methyl]-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11739461
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
1-[4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]phenyl]ethanone
CID 11417406
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122597
[4-[[(3S)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122596
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine (CID 134960206) is 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is UZJINPLXVGWSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-14-2-8-18(9-3-14)23(21,22)20-11-10-16(13-20)12-15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine?
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 333.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 134960206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).