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

C14H15ClN2O3S2 — CID 122248560

IUPAC5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
SMILESCCc1ccc(S(=O)(=O)N2CC(Oc3ccc(Cl)cn3)C2)s1
InChIInChI=1S/C14H15ClN2O3S2/c1-2-12-4-6-14(21-12)22(18,19)17-8-11(9-17)20-13-5-3-10(15)7-16-13/h3-7,11H,2,8-9H2,1H3
InChIKeySSZVIYWSHSVCBA-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.81
Rot. Bonds5

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

5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 122248560) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID122248560
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
SMILESCCc1ccc(S(=O)(=O)N2CC(Oc3ccc(Cl)cn3)C2)s1
InChIInChI=1S/C14H15ClN2O3S2/c1-2-12-4-6-14(21-12)22(18,19)17-8-11(9-17)20-13-5-3-10(15)7-16-13/h3-7,11H,2,8-9H2,1H3
InChIKeySSZVIYWSHSVCBA-UHFFFAOYSA-N
XLogP2.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249356
3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
CID 126853878
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248543
3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
CID 71798897
6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248959
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122247367
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine (CID 122248560) is 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine is CCc1ccc(S(=O)(=O)N2CC(Oc3ccc(Cl)cn3)C2)s1.
What is the InChIKey of 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is SSZVIYWSHSVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-2-12-4-6-14(21-12)22(18,19)17-8-11(9-17)20-13-5-3-10(15)7-16-13/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine?
5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 358.87 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 122248560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).