4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine

C20H24FNO3S — CID 110327570

IUPAC4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CC(c3ccc(F)cc3)OCC2(C)C)cc1
InChIInChI=1S/C20H24FNO3S/c1-4-15-5-11-18(12-6-15)26(23,24)22-13-19(25-14-20(22,2)3)16-7-9-17(21)10-8-16/h5-12,19H,4,13-14H2,1-3H3
InChIKeyPHENDMSSXCIVMH-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.93
Rot. Bonds4

About 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine

4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine (PubChem CID 110327570) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
PubChem CID110327570
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CC(c3ccc(F)cc3)OCC2(C)C)cc1
InChIInChI=1S/C20H24FNO3S/c1-4-15-5-11-18(12-6-15)26(23,24)22-13-19(25-14-20(22,2)3)16-7-9-17(21)10-8-16/h5-12,19H,4,13-14H2,1-3H3
InChIKeyPHENDMSSXCIVMH-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327467
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 110368988
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine?
The IUPAC name of 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine (CID 110327570) is 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine.
What is the SMILES notation for 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine?
The canonical SMILES for 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine is CCc1ccc(S(=O)(=O)N2CC(c3ccc(F)cc3)OCC2(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine?
The InChIKey is PHENDMSSXCIVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-4-15-5-11-18(12-6-15)26(23,24)22-13-19(25-14-20(22,2)3)16-7-9-17(21)10-8-16/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine?
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine has a molecular weight of 377.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine is sourced from PubChem (CID 110327570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).