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

C15H11F5N2O3S — CID 122251181

IUPAC2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C15H11F5N2O3S/c16-12-4-3-10(6-13(12)17)26(23,24)22-7-9(8-22)25-14-11(15(18,19)20)2-1-5-21-14/h1-6,9H,7-8H2
InChIKeyIUADUQSKTZEBRY-UHFFFAOYSA-N
MW394.32 g/mol
LogP2.83
Rot. Bonds4

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

2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine (PubChem CID 122251181) 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-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
PubChem CID122251181
Molecular FormulaC15H11F5N2O3S
Molecular Weight394.32 g/mol
Exact Mass394.04
IUPAC Name2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C15H11F5N2O3S/c16-12-4-3-10(6-13(12)17)26(23,24)22-7-9(8-22)25-14-11(15(18,19)20)2-1-5-21-14/h1-6,9H,7-8H2
InChIKeyIUADUQSKTZEBRY-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-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252163
2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251179
2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251194
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250815
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
CID 122248138
1-adamantyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250775
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
2-propyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pentan-1-one
CID 122250768

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine (CID 122251181) is 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(F)c(F)c1)N1CC(Oc2ncccc2C(F)(F)F)C1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The InChIKey is IUADUQSKTZEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O3S/c16-12-4-3-10(6-13(12)17)26(23,24)22-7-9(8-22)25-14-11(15(18,19)20)2-1-5-21-14/h1-6,9H,7-8H2.
What are the key properties of 2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(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-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 122251181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).