3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine

C17H18ClNO4S — CID 58405228

IUPAC3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
SMILESCS(=O)(=O)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
InChIInChI=1S/C17H18ClNO4S/c1-24(20,21)15-4-2-3-12(7-15)11-22-16-6-5-13(18)8-17(16)23-14-9-19-10-14/h2-8,14,19H,9-11H2,1H3
InChIKeyOQTMFUPUVYSLQY-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.67
Rot. Bonds6

About 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine

3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine (PubChem CID 58405228) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
PubChem CID58405228
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine
SMILESCS(=O)(=O)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
InChIInChI=1S/C17H18ClNO4S/c1-24(20,21)15-4-2-3-12(7-15)11-22-16-6-5-13(18)8-17(16)23-14-9-19-10-14/h2-8,14,19H,9-11H2,1H3
InChIKeyOQTMFUPUVYSLQY-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-[2-[(3-chlorophenyl)methoxy]-5-fluorophenoxy]azetidine
CID 46214825
3-[5-chloro-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405153
3-[5-chloro-2-[2-(4-chlorophenyl)ethoxy]phenoxy]azetidine
CID 58405106
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489
3-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]azetidine
CID 166114037
3-[5-chloro-2-[2-(2-chlorophenyl)ethoxy]phenoxy]azetidine
CID 90792059
3-(4-chloro-2-methoxyphenoxy)azetidine
CID 131025612
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049
1-tert-butyl-3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 46214973
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine (CID 58405228) is 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine is CS(=O)(=O)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1.
What is the InChIKey of 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine?
The InChIKey is OQTMFUPUVYSLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-24(20,21)15-4-2-3-12(7-15)11-22-16-6-5-13(18)8-17(16)23-14-9-19-10-14/h2-8,14,19H,9-11H2,1H3.
What are the key properties of 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine?
3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine has a molecular weight of 367.85 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[(3-methylsulfonylphenyl)methoxy]phenoxy]azetidine is sourced from PubChem (CID 58405228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).