1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone

C20H22FNO4S — CID 110368988

IUPAC1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(c3ccccc3F)OCC2(C)C)cc1
InChIInChI=1S/C20H22FNO4S/c1-14(23)15-8-10-16(11-9-15)27(24,25)22-12-19(26-13-20(22,2)3)17-6-4-5-7-18(17)21/h4-11,19H,12-13H2,1-3H3
InChIKeyVINSDSUAHLOWNW-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.57
Rot. Bonds4

About 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone

1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone (PubChem CID 110368988) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
PubChem CID110368988
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(c3ccccc3F)OCC2(C)C)cc1
InChIInChI=1S/C20H22FNO4S/c1-14(23)15-8-10-16(11-9-15)27(24,25)22-12-19(26-13-20(22,2)3)17-6-4-5-7-18(17)21/h4-11,19H,12-13H2,1-3H3
InChIKeyVINSDSUAHLOWNW-UHFFFAOYSA-N
XLogP3.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone (CID 110368988) is 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CC(c3ccccc3F)OCC2(C)C)cc1.
What is the InChIKey of 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone?
The InChIKey is VINSDSUAHLOWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4S/c1-14(23)15-8-10-16(11-9-15)27(24,25)22-12-19(26-13-20(22,2)3)17-6-4-5-7-18(17)21/h4-11,19H,12-13H2,1-3H3.
What are the key properties of 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone?
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone has a molecular weight of 391.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 110368988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).