4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C17H18F2N2O4S — CID 86265638

IUPAC4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)n1C
InChIInChI=1S/C17H18F2N2O4S/c1-11-7-14(9-17(22)20(11)2)25-13-5-6-21(10-13)26(23,24)16-8-12(18)3-4-15(16)19/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyVOAIMZDKQMEUIK-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.81
Rot. Bonds4

About 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265638) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265638
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)n1C
InChIInChI=1S/C17H18F2N2O4S/c1-11-7-14(9-17(22)20(11)2)25-13-5-6-21(10-13)26(23,24)16-8-12(18)3-4-15(16)19/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyVOAIMZDKQMEUIK-UHFFFAOYSA-N
XLogP1.81
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265638) is 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is VOAIMZDKQMEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-11-7-14(9-17(22)20(11)2)25-13-5-6-21(10-13)26(23,24)16-8-12(18)3-4-15(16)19/h3-4,7-9,13H,5-6,10H2,1-2H3.
What are the key properties of 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 384.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).