2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine

C16H14F4N2O4S — CID 122252170

IUPAC2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1F
InChIInChI=1S/C16H14F4N2O4S/c1-25-13-6-5-11(7-12(13)17)27(23,24)22-8-10(9-22)26-15-4-2-3-14(21-15)16(18,19)20/h2-7,10H,8-9H2,1H3
InChIKeyVHFJJGJAGSBNBE-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.70
Rot. Bonds5

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

2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (PubChem CID 122252170) has the molecular formula C16H14F4N2O4S and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
PubChem CID122252170
Molecular FormulaC16H14F4N2O4S
Molecular Weight406.36 g/mol
Exact Mass406.06
IUPAC Name2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1F
InChIInChI=1S/C16H14F4N2O4S/c1-25-13-6-5-11(7-12(13)17)27(23,24)22-8-10(9-22)26-15-4-2-3-14(21-15)16(18,19)20/h2-7,10H,8-9H2,1H3
InChIKeyVHFJJGJAGSBNBE-UHFFFAOYSA-N
XLogP2.70
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252163
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
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-butylsulfonylazetidin-3-yl)oxy-6-(trifluoromethyl)pyridine
CID 122252114
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
CID 122249748
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247741
4-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161710
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]triazole
CID 121154938
2-[(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 166263448

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (CID 122252170) is 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is COc1ccc(S(=O)(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The InChIKey is VHFJJGJAGSBNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O4S/c1-25-13-6-5-11(7-12(13)17)27(23,24)22-8-10(9-22)26-15-4-2-3-14(21-15)16(18,19)20/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine has a molecular weight of 406.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 122252170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).