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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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).