(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine

C18H20FNO2S — CID 99943201

IUPAC(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
SMILESCS(=O)(=O)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO2S/c1-23(21,22)18-8-2-14(3-9-18)12-20-11-10-16(13-20)15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyUHKYOKPLQHPJPI-INIZCTEOSA-N
MW333.43 g/mol
LogP3.22
Rot. Bonds4

About (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine

(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine (PubChem CID 99943201) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
PubChem CID99943201
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
SMILESCS(=O)(=O)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO2S/c1-23(21,22)18-8-2-14(3-9-18)12-20-11-10-16(13-20)15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyUHKYOKPLQHPJPI-INIZCTEOSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine 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

1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75131930
N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 123168932
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
4-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 50982110
[1-(4-fluorophenyl)-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67976069
2-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615184
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700
3-(4-fluorophenyl)-1-[[4-[(2S)-1,1,1-trifluoro-3-methylsulfonylpropan-2-yl]phenyl]methyl]piperidine;hydrochloride
CID 158182272

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
The IUPAC name of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine (CID 99943201) is (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine is CS(=O)(=O)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
The InChIKey is UHKYOKPLQHPJPI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-23(21,22)18-8-2-14(3-9-18)12-20-11-10-16(13-20)15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine has a molecular weight of 333.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 99943201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).