2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine

C15H11F5N2O3S — CID 122252163

IUPAC2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H11F5N2O3S/c16-11-5-4-10(6-12(11)17)26(23,24)22-7-9(8-22)25-14-3-1-2-13(21-14)15(18,19)20/h1-6,9H,7-8H2
InChIKeyPTTHQTKXGLLTLE-UHFFFAOYSA-N
MW394.32 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine

2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (PubChem CID 122252163) has the molecular formula C15H11F5N2O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
PubChem CID122252163
Molecular FormulaC15H11F5N2O3S
Molecular Weight394.32 g/mol
Exact Mass394.04
IUPAC Name2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H11F5N2O3S/c16-11-5-4-10(6-12(11)17)26(23,24)22-7-9(8-22)25-14-3-1-2-13(21-14)15(18,19)20/h1-6,9H,7-8H2
InChIKeyPTTHQTKXGLLTLE-UHFFFAOYSA-N
XLogP2.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252170
2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252151
N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
CID 122252108
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251181
2-(1-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
CID 122252114
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
(4-morpholin-4-ylsulfonylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251891
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
(3-fluoro-4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252030
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (CID 122252163) is 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The InChIKey is PTTHQTKXGLLTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O3S/c16-11-5-4-10(6-12(11)17)26(23,24)22-7-9(8-22)25-14-3-1-2-13(21-14)15(18,19)20/h1-6,9H,7-8H2.
What are the key properties of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine has a molecular weight of 394.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 122252163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).