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

C17H17FN2O4S — CID 24626691

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S/c18-14-5-3-13(4-6-14)16(21)12-19-11-15(7-8-17(19)22)25(23,24)20-9-1-2-10-20/h3-8,11H,1-2,9-10,12H2
InChIKeyNWAGREMDUWLCIJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.65
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 24626691) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID24626691
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4S/c18-14-5-3-13(4-6-14)16(21)12-19-11-15(7-8-17(19)22)25(23,24)20-9-1-2-10-20/h3-8,11H,1-2,9-10,12H2
InChIKeyNWAGREMDUWLCIJ-UHFFFAOYSA-N
XLogP1.65
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 24626691) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is NWAGREMDUWLCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-14-5-3-13(4-6-14)16(21)12-19-11-15(7-8-17(19)22)25(23,24)20-9-1-2-10-20/h3-8,11H,1-2,9-10,12H2.
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 364.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 24626691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).