1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone

C18H18FNO4S — CID 42949946

IUPAC1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FNO4S/c1-13(21)14-4-8-17(9-5-14)25(22,23)20-10-11-24-18(12-20)15-2-6-16(19)7-3-15/h2-9,18H,10-12H2,1H3
InChIKeyVCCMHIRSSTWNTL-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.79
Rot. Bonds4

About 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone

1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone (PubChem CID 42949946) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
PubChem CID42949946
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FNO4S/c1-13(21)14-4-8-17(9-5-14)25(22,23)20-10-11-24-18(12-20)15-2-6-16(19)7-3-15/h2-9,18H,10-12H2,1H3
InChIKeyVCCMHIRSSTWNTL-UHFFFAOYSA-N
XLogP2.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 121134630
2-(4-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110326817
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(1,3-benzodioxol-5-ylsulfonyl)-2-(4-fluorophenyl)morpholine
CID 110326793
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42949954
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
1-[4-[3-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 110663917
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone (CID 42949946) is 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
The InChIKey is VCCMHIRSSTWNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-13(21)14-4-8-17(9-5-14)25(22,23)20-10-11-24-18(12-20)15-2-6-16(19)7-3-15/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone?
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone has a molecular weight of 363.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 42949946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).