4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine

C14H21NO4S — CID 850000

IUPAC4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C
InChIInChI=1S/C14H21NO4S/c1-4-19-13-10-14(12(3)9-11(13)2)20(16,17)15-5-7-18-8-6-15/h9-10H,4-8H2,1-3H3
InChIKeyWBQBLCICUYIAPL-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.72
Rot. Bonds4

About 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine

4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine (PubChem CID 850000) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine
PubChem CID850000
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C
InChIInChI=1S/C14H21NO4S/c1-4-19-13-10-14(12(3)9-11(13)2)20(16,17)15-5-7-18-8-6-15/h9-10H,4-8H2,1-3H3
InChIKeyWBQBLCICUYIAPL-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
4-(2-Methoxy-5-methylbenzenesulfonyl)morpholine
CID 775521
4-[(3-Isopropyl-4-methoxyphenyl)sulfonyl]morpholine
CID 971646
[(5-Ethoxy-2,4-dimethylphenyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 2235525
4-(4-Methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 801472
4-{[4-(4-Methoxyphenyl)phenyl]sulfonyl}morpholine
CID 2190649
4-[(3-Sec-butyl-4-methoxyphenyl)sulfonyl]morpholine
CID 2968385
4-[(2,5-Dimethyl-4-propoxyphenyl)sulfonyl]morpholine
CID 2221971

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine (CID 850000) is 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine is CCOc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C.
What is the InChIKey of 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine?
The InChIKey is WBQBLCICUYIAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-19-13-10-14(12(3)9-11(13)2)20(16,17)15-5-7-18-8-6-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine?
4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-2,4-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 850000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).