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

C15H12ClF3N2O3S — CID 122252095

IUPAC2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H12ClF3N2O3S/c16-10-4-6-12(7-5-10)25(22,23)21-8-11(9-21)24-14-3-1-2-13(20-14)15(17,18)19/h1-7,11H,8-9H2
InChIKeyCKLWLMSKYZQOFH-UHFFFAOYSA-N
MW392.79 g/mol
LogP3.21
Rot. Bonds4

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

2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (PubChem CID 122252095) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
PubChem CID122252095
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC Name2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H12ClF3N2O3S/c16-10-4-6-12(7-5-10)25(22,23)21-8-11(9-21)24-14-3-1-2-13(20-14)15(17,18)19/h1-7,11H,8-9H2
InChIKeyCKLWLMSKYZQOFH-UHFFFAOYSA-N
XLogP3.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 53.21
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-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252170
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
(4-morpholin-4-ylsulfonylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251891
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528
1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
CID 122251907
2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251857
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine (CID 122252095) is 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
The InChIKey is CKLWLMSKYZQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c16-10-4-6-12(7-5-10)25(22,23)21-8-11(9-21)24-14-3-1-2-13(20-14)15(17,18)19/h1-7,11H,8-9H2.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine?
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine has a molecular weight of 392.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 122252095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).