2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine

C16H14ClF3N2O3S — CID 122251179

IUPAC2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C16H14ClF3N2O3S/c17-12-5-3-11(4-6-12)10-26(23,24)22-8-13(9-22)25-15-14(16(18,19)20)2-1-7-21-15/h1-7,13H,8-10H2
InChIKeyAOEVFKWRCBOCIH-UHFFFAOYSA-N
MW406.81 g/mol
LogP3.35
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine

2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine (PubChem CID 122251179) has the molecular formula C16H14ClF3N2O3S and a molecular weight of 406.81 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
PubChem CID122251179
Molecular FormulaC16H14ClF3N2O3S
Molecular Weight406.81 g/mol
Exact Mass406.04
IUPAC Name2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C16H14ClF3N2O3S/c17-12-5-3-11(4-6-12)10-26(23,24)22-8-13(9-22)25-15-14(16(18,19)20)2-1-7-21-15/h1-7,13H,8-10H2
InChIKeyAOEVFKWRCBOCIH-UHFFFAOYSA-N
XLogP3.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251181
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250815
2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251194
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270
3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
3-chloro-2,2-dimethyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250787
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
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
1-[(4-bromophenyl)methylsulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 69406729
N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
CID 122250991

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine (CID 122251179) is 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine is O=S(=O)(Cc1ccc(Cl)cc1)N1CC(Oc2ncccc2C(F)(F)F)C1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
The InChIKey is AOEVFKWRCBOCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S/c17-12-5-3-11(4-6-12)10-26(23,24)22-8-13(9-22)25-15-14(16(18,19)20)2-1-7-21-15/h1-7,13H,8-10H2.
What are the key properties of 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine?
2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine has a molecular weight of 406.81 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]oxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 122251179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).