4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H15FN2O4S — CID 134374481

IUPAC4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN2O4S/c17-12-1-3-13(4-2-12)24(22,23)14-6-8-19(10-14)16(21)11-5-7-18-15(20)9-11/h1-5,7,9,14H,6,8,10H2,(H,18,20)
InChIKeyRLBXNUPSTUFNDW-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.20
Rot. Bonds3

About 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one

4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 134374481) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID134374481
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN2O4S/c17-12-1-3-13(4-2-12)24(22,23)14-6-8-19(10-14)16(21)11-5-7-18-15(20)9-11/h1-5,7,9,14H,6,8,10H2,(H,18,20)
InChIKeyRLBXNUPSTUFNDW-UHFFFAOYSA-N
XLogP1.20
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 134374481) is 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is RLBXNUPSTUFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c17-12-1-3-13(4-2-12)24(22,23)14-6-8-19(10-14)16(21)11-5-7-18-15(20)9-11/h1-5,7,9,14H,6,8,10H2,(H,18,20).
What are the key properties of 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 350.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 134374481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).