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

C16H17ClN2O3S — CID 122248543

IUPAC5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3ccc(Cl)cn3)C2)c(C)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-3-5-15(12(2)7-11)23(20,21)19-9-14(10-19)22-16-6-4-13(17)8-18-16/h3-8,14H,9-10H2,1-2H3
InChIKeyUBBYAMFIDCHPKH-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.80
Rot. Bonds4

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

5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine (PubChem CID 122248543) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
PubChem CID122248543
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
SMILESCc1ccc(S(=O)(=O)N2CC(Oc3ccc(Cl)cn3)C2)c(C)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-3-5-15(12(2)7-11)23(20,21)19-9-14(10-19)22-16-6-4-13(17)8-18-16/h3-8,14H,9-10H2,1-2H3
InChIKeyUBBYAMFIDCHPKH-UHFFFAOYSA-N
XLogP2.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
CID 122248574
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-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122248560
6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
CID 91914144
4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260571
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247775
2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247754
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268391
1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122248358
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798967
3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The IUPAC name of 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine (CID 122248543) is 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine.
What is the SMILES notation for 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The canonical SMILES for 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine is Cc1ccc(S(=O)(=O)N2CC(Oc3ccc(Cl)cn3)C2)c(C)c1.
What is the InChIKey of 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine?
The InChIKey is UBBYAMFIDCHPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-3-5-15(12(2)7-11)23(20,21)19-9-14(10-19)22-16-6-4-13(17)8-18-16/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine?
5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine has a molecular weight of 352.84 g/mol, XLogP of 2.80, 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-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine is sourced from PubChem (CID 122248543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).