2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C15H11F5N2O3S — CID 122247754

IUPAC2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H11F5N2O3S/c16-10-2-3-13(12(17)5-10)26(23,24)22-7-11(8-22)25-14-4-1-9(6-21-14)15(18,19)20/h1-6,11H,7-8H2
InChIKeyXQRCSYCSWHJUOZ-UHFFFAOYSA-N
MW394.32 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine

2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 122247754) has the molecular formula C15H11F5N2O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID122247754
Molecular FormulaC15H11F5N2O3S
Molecular Weight394.32 g/mol
Exact Mass394.04
IUPAC Name2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C15H11F5N2O3S/c16-10-2-3-13(12(17)5-10)26(23,24)22-7-11(8-22)25-14-4-1-9(6-21-14)15(18,19)20/h1-6,11H,7-8H2
InChIKeyXQRCSYCSWHJUOZ-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-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247775
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247741
N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
CID 122247737
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248543
1-(2,4-difluorophenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53008553
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
CID 53089815
(3,4,5-triethoxyphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247512
(8R,9aR)-2-[3-(trifluoromethyl)phenyl]sulfonyl-8-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-5-one
CID 90217815

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 122247754) is 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(F)cc1F)N1CC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is XQRCSYCSWHJUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O3S/c16-10-2-3-13(12(17)5-10)26(23,24)22-7-11(8-22)25-14-4-1-9(6-21-14)15(18,19)20/h1-6,11H,7-8H2.
What are the key properties of 2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(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-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 122247754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).