4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C17H19FN2O4S — CID 86265559

IUPAC4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1
InChIInChI=1S/C17H19FN2O4S/c1-11-6-13(18)4-5-16(11)25(22,23)20-9-15(10-20)24-14-7-12(2)19(3)17(21)8-14/h4-8,15H,9-10H2,1-3H3
InChIKeyVIQVTYJBQWFKFP-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.59
Rot. Bonds4

About 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265559) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265559
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1
InChIInChI=1S/C17H19FN2O4S/c1-11-6-13(18)4-5-16(11)25(22,23)20-9-15(10-20)24-14-7-12(2)19(3)17(21)8-14/h4-8,15H,9-10H2,1-3H3
InChIKeyVIQVTYJBQWFKFP-UHFFFAOYSA-N
XLogP1.59
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-4-((1-((2-(trifluoromethyl)phenyl)sulfonyl)pyrrolidin-3-yl)oxy)pyridin-2(1H)-one
CID 86265643
N-(2-(3-((1-cyclopropyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy)azetidin-1-yl)-2-oxoethyl)-2,5-dimethylbenzenesulfonamide
CID 91814886
1-cyclopropyl-4-((1-((4-fluoro-3-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-6-methylpyridin-2(1H)-one
CID 91814925
4-((1-((3-chloro-2-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-1-cyclopropyl-6-methylpyridin-2(1H)-one
CID 91814931
4-((1-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 86265570
4-((1-((2,5-difluorophenyl)sulfonyl)pyrrolidin-3-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 86265638
4-((1-((4-fluoro-2-methylphenyl)sulfonyl)piperidin-4-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 86265666
N-(2-(3-((1-cyclopropyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy)azetidin-1-yl)-2-oxoethyl)-3-fluorobenzenesulfonamide
CID 91814887
1-cyclopropyl-4-((1-((2,6-difluorophenyl)sulfonyl)azetidin-3-yl)oxy)-6-methylpyridin-2(1H)-one
CID 91814928
1-cyclopropyl-6-methyl-4-((1-((4-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)oxy)pyridin-2(1H)-one
CID 91814933
N-(2-(3-((1,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy)azetidin-1-yl)-2-oxoethyl)-3-fluorobenzenesulfonamide
CID 92079627
N-(3-(3-((1,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy)azetidin-1-yl)-3-oxopropyl)-2-fluorobenzenesulfonamide
CID 92079629

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265559) is 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(F)ccc1S(=O)(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1.
What is the InChIKey of 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is VIQVTYJBQWFKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-11-6-13(18)4-5-16(11)25(22,23)20-9-15(10-20)24-14-7-12(2)19(3)17(21)8-14/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 366.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).