1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C23H21FN2O4S — CID 146402867

IUPAC1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C23H21FN2O4S/c24-21-14-18(17-6-2-1-3-7-17)8-10-20(21)22(27)16-25-15-19(9-11-23(25)28)31(29,30)26-12-4-5-13-26/h1-3,6-11,14-15H,4-5,12-13,16H2
InChIKeyIDKZHYXNPKPIHO-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.32
Rot. Bonds6

About 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 146402867) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID146402867
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C23H21FN2O4S/c24-21-14-18(17-6-2-1-3-7-17)8-10-20(21)22(27)16-25-15-19(9-11-23(25)28)31(29,30)26-12-4-5-13-26/h1-3,6-11,14-15H,4-5,12-13,16H2
InChIKeyIDKZHYXNPKPIHO-UHFFFAOYSA-N
XLogP3.32
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-fluoro-4-phenylphenyl)-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-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 146402867) is 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is IDKZHYXNPKPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c24-21-14-18(17-6-2-1-3-7-17)8-10-20(21)22(27)16-25-15-19(9-11-23(25)28)31(29,30)26-12-4-5-13-26/h1-3,6-11,14-15H,4-5,12-13,16H2.
What are the key properties of 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 440.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 146402867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).