4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine

C20H25NO3S — CID 110420727

IUPAC4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCc1cccc(OC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C20H25NO3S/c1-3-17-5-4-6-19(15-17)24-18-11-13-21(14-12-18)25(22,23)20-9-7-16(2)8-10-20/h4-10,15,18H,3,11-14H2,1-2H3
InChIKeyCLCCRAOGBMUKLJ-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.79
Rot. Bonds5

About 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine

4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 110420727) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID110420727
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCc1cccc(OC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C20H25NO3S/c1-3-17-5-4-6-19(15-17)24-18-11-13-21(14-12-18)25(22,23)20-9-7-16(2)8-10-20/h4-10,15,18H,3,11-14H2,1-2H3
InChIKeyCLCCRAOGBMUKLJ-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110420735
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992847
1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 42319684
(3-ethylphenoxy)cyclooctane
CID 91220327
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
(3-ethylphenyl) 4-methylbenzenesulfonate
CID 18424481
2-(3-ethylphenoxy)ethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 55312272
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyacetic acid
CID 63876826

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine (CID 110420727) is 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine is CCc1cccc(OC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is CLCCRAOGBMUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-17-5-4-6-19(15-17)24-18-11-13-21(14-12-18)25(22,23)20-9-7-16(2)8-10-20/h4-10,15,18H,3,11-14H2,1-2H3.
What are the key properties of 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine?
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 359.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110420727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).