2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C16H14ClF3N2O3S — CID 122247775

IUPAC2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H14ClF3N2O3S/c1-10-13(17)3-2-4-14(10)26(23,24)22-8-12(9-22)25-15-6-5-11(7-21-15)16(18,19)20/h2-7,12H,8-9H2,1H3
InChIKeyDWYOQEJVSQEQAV-UHFFFAOYSA-N
MW406.81 g/mol
LogP3.51
Rot. Bonds4

About 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine

2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 122247775) has the molecular formula C16H14ClF3N2O3S and a molecular weight of 406.81 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID122247775
Molecular FormulaC16H14ClF3N2O3S
Molecular Weight406.81 g/mol
Exact Mass406.04
IUPAC Name2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H14ClF3N2O3S/c1-10-13(17)3-2-4-14(10)26(23,24)22-8-12(9-22)25-15-6-5-11(7-21-15)16(18,19)20/h2-7,12H,8-9H2,1H3
InChIKeyDWYOQEJVSQEQAV-UHFFFAOYSA-N
XLogP3.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247754
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247741
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
N-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]sulfonylphenyl]acetamide
CID 122247737
1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
CID 46354306
5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248543
3-chloro-2-methyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 99874881
3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903079
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
2-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446162

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 122247775) is 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine is Cc1c(Cl)cccc1S(=O)(=O)N1CC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is DWYOQEJVSQEQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S/c1-10-13(17)3-2-4-14(10)26(23,24)22-8-12(9-22)25-15-6-5-11(7-21-15)16(18,19)20/h2-7,12H,8-9H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 406.81 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 122247775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).