1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C17H16F2N2O4S — CID 38931439

IUPAC1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O4S/c18-12-3-5-15(19)14(9-12)16(22)11-20-10-13(4-6-17(20)23)26(24,25)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2
InChIKeyAABUWQLVNGFTPL-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.79
Rot. Bonds5

About 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 38931439) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID38931439
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2O4S/c18-12-3-5-15(19)14(9-12)16(22)11-20-10-13(4-6-17(20)23)26(24,25)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2
InChIKeyAABUWQLVNGFTPL-UHFFFAOYSA-N
XLogP1.79
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one 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 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 38931439) is 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is AABUWQLVNGFTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c18-12-3-5-15(19)14(9-12)16(22)11-20-10-13(4-6-17(20)23)26(24,25)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2.
What are the key properties of 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 382.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 38931439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).