methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate

C19H20FNO4S — CID 70075598

IUPACmethyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c1-13-3-9-16(10-4-13)26(23,24)21-12-11-17(19(22)25-2)18(21)14-5-7-15(20)8-6-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyFDXSEXRJMNXPRX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate

methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate (PubChem CID 70075598) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate
PubChem CID70075598
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Namemethyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c1-13-3-9-16(10-4-13)26(23,24)21-12-11-17(19(22)25-2)18(21)14-5-7-15(20)8-6-14/h3-10,17-18H,11-12H2,1-2H3
InChIKeyFDXSEXRJMNXPRX-UHFFFAOYSA-N
XLogP3.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate (CID 70075598) is methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate?
The InChIKey is FDXSEXRJMNXPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-13-3-9-16(10-4-13)26(23,24)21-12-11-17(19(22)25-2)18(21)14-5-7-15(20)8-6-14/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate?
methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate is sourced from PubChem (CID 70075598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).