4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C17H16ClF3N2O4S — CID 86265570

IUPAC4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C
InChIInChI=1S/C17H16ClF3N2O4S/c1-10-5-11(6-16(24)22(10)2)27-12-8-23(9-12)28(25,26)13-3-4-15(18)14(7-13)17(19,20)21/h3-7,12H,8-9H2,1-2H3
InChIKeyWRNCVRXOUYMKNM-UHFFFAOYSA-N
MW436.84 g/mol
LogP2.82
Rot. Bonds4

About 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265570) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265570
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C
InChIInChI=1S/C17H16ClF3N2O4S/c1-10-5-11(6-16(24)22(10)2)27-12-8-23(9-12)28(25,26)13-3-4-15(18)14(7-13)17(19,20)21/h3-7,12H,8-9H2,1-2H3
InChIKeyWRNCVRXOUYMKNM-UHFFFAOYSA-N
XLogP2.82
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one with MolForge

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Related Compounds

4-((1-((4-fluoro-2-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 86265559
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)-6-methyl-2H-pyran-2-one
CID 86265524
4-((1-((3-chloro-4-fluorophenyl)sulfonyl)azetidin-3-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 86265560
1-cyclopropyl-6-methyl-4-((1-((4-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)oxy)pyridin-2(1H)-one
CID 91814933
4-((1-((4-fluoro-3-methylphenyl)sulfonyl)azetidin-3-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 92079891
1,6-dimethyl-4-((1-((4-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)oxy)pyridin-2(1H)-one
CID 92079922
1,6-dimethyl-4-((1-((3-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)oxy)pyridin-2(1H)-one
CID 92079923
1,6-dimethyl-4-((1-((2-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)oxy)pyridin-2(1H)-one
CID 92079951
4-((1-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)pyrrolidin-3-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 92080895
4-((1-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)oxy)-1,6-dimethylpyridin-2(1H)-one
CID 92081113

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265570) is 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is WRNCVRXOUYMKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-10-5-11(6-16(24)22(10)2)27-12-8-23(9-12)28(25,26)13-3-4-15(18)14(7-13)17(19,20)21/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 436.84 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).