3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine

C17H18FNO2S — CID 71971828

IUPAC3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccccc1N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO2S/c1-22(20,21)17-5-3-2-4-16(17)19-11-10-14(12-19)13-6-8-15(18)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyWFORAMWCPUINCQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.22
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine

3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine (PubChem CID 71971828) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine
PubChem CID71971828
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccccc1N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO2S/c1-22(20,21)17-5-3-2-4-16(17)19-11-10-14(12-19)13-6-8-15(18)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyWFORAMWCPUINCQ-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine (CID 71971828) is 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1ccccc1N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine?
The InChIKey is WFORAMWCPUINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-22(20,21)17-5-3-2-4-16(17)19-11-10-14(12-19)13-6-8-15(18)9-7-13/h2-9,14H,10-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine?
3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 71971828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).