5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine

C14H12ClFN2O3S — CID 122248528

IUPAC5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H12ClFN2O3S/c15-10-1-6-14(17-7-10)21-12-8-18(9-12)22(19,20)13-4-2-11(16)3-5-13/h1-7,12H,8-9H2
InChIKeyRQUBSORLSGXTHR-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.33
Rot. Bonds4

About 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine

5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 122248528) has the molecular formula C14H12ClFN2O3S and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID122248528
Molecular FormulaC14H12ClFN2O3S
Molecular Weight342.78 g/mol
Exact Mass342.02
IUPAC Name5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H12ClFN2O3S/c15-10-1-6-14(17-7-10)21-12-8-18(9-12)22(19,20)13-4-2-11(16)3-5-13/h1-7,12H,8-9H2
InChIKeyRQUBSORLSGXTHR-UHFFFAOYSA-N
XLogP2.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
CID 122248574
5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248543
5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122248560
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252604
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512
2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247754
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754
6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248978

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine (CID 122248528) is 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine is O=S(=O)(c1ccc(F)cc1)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is RQUBSORLSGXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3S/c15-10-1-6-14(17-7-10)21-12-8-18(9-12)22(19,20)13-4-2-11(16)3-5-13/h1-7,12H,8-9H2.
What are the key properties of 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine?
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 342.78 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 122248528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).