2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine

C20H24FNO3S — CID 10156444

IUPAC2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOCCC1CCC(c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24FNO3S/c1-15-3-10-19(11-4-15)26(23,24)22-18(13-14-25-2)9-12-20(22)16-5-7-17(21)8-6-16/h3-8,10-11,18,20H,9,12-14H2,1-2H3
InChIKeyOKWCHLSDQGQINZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine

2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 10156444) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID10156444
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOCCC1CCC(c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24FNO3S/c1-15-3-10-19(11-4-15)26(23,24)22-18(13-14-25-2)9-12-20(22)16-5-7-17(21)8-6-16/h3-8,10-11,18,20H,9,12-14H2,1-2H3
InChIKeyOKWCHLSDQGQINZ-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 10156444) is 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine is COCCC1CCC(c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is OKWCHLSDQGQINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-15-3-10-19(11-4-15)26(23,24)22-18(13-14-25-2)9-12-20(22)16-5-7-17(21)8-6-16/h3-8,10-11,18,20H,9,12-14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 377.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-methoxyethyl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 10156444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).