4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine

C25H23F2NO3S — CID 68535723

IUPAC4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine
SMILESO=S(=O)(c1ccc(C=Cc2ccc(F)cc2F)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C25H23F2NO3S/c26-22-9-8-21(25(27)17-22)7-4-19-5-10-23(11-6-19)32(29,30)24-3-1-2-20(16-24)18-28-12-14-31-15-13-28/h1-11,16-17H,12-15,18H2
InChIKeyLSVVBFXYSBYICX-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.80
Rot. Bonds6

About 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine

4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine (PubChem CID 68535723) has the molecular formula C25H23F2NO3S and a molecular weight of 455.53 g/mol. Its IUPAC name is 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine
PubChem CID68535723
Molecular FormulaC25H23F2NO3S
Molecular Weight455.53 g/mol
Exact Mass455.14
IUPAC Name4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine
SMILESO=S(=O)(c1ccc(C=Cc2ccc(F)cc2F)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C25H23F2NO3S/c26-22-9-8-21(25(27)17-22)7-4-19-5-10-23(11-6-19)32(29,30)24-3-1-2-20(16-24)18-28-12-14-31-15-13-28/h1-11,16-17H,12-15,18H2
InChIKeyLSVVBFXYSBYICX-UHFFFAOYSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine (CID 68535723) is 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine is O=S(=O)(c1ccc(C=Cc2ccc(F)cc2F)cc1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine?
The InChIKey is LSVVBFXYSBYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO3S/c26-22-9-8-21(25(27)17-22)7-4-19-5-10-23(11-6-19)32(29,30)24-3-1-2-20(16-24)18-28-12-14-31-15-13-28/h1-11,16-17H,12-15,18H2.
What are the key properties of 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine?
4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine has a molecular weight of 455.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylphenyl]methyl]morpholine is sourced from PubChem (CID 68535723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).