(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol

C22H18F2O3S — CID 102474223

IUPAC(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F2O3S/c23-22(24,28(26,27)20-14-8-3-9-15-20)21(25,19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-17,25H/b17-16+
InChIKeyJKUYYOIHICMRIG-WUKNDPDISA-N
MW400.45 g/mol
LogP4.65
Rot. Bonds6

About (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol

(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol (PubChem CID 102474223) has the molecular formula C22H18F2O3S and a molecular weight of 400.45 g/mol. Its IUPAC name is (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol
PubChem CID102474223
Molecular FormulaC22H18F2O3S
Molecular Weight400.45 g/mol
Exact Mass400.09
IUPAC Name(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F2O3S/c23-22(24,28(26,27)20-14-8-3-9-15-20)21(25,19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-17,25H/b17-16+
InChIKeyJKUYYOIHICMRIG-WUKNDPDISA-N
XLogP4.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 54762908
4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 54024044
(E,2S)-4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol
CID 67708369
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
CID 89384206
ethane;trifluoromethylsulfonylbenzene
CID 144556552
[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
CID 10988246
(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol
CID 135060995
stilbene;sulfuric acid
CID 67612140
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
1,1,2-trihydroxy-2-phenylbut-3-ene-1-sulfonic acid
CID 54425861
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807

Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol (CID 102474223) is (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol is O=S(=O)(c1ccccc1)C(F)(F)C(O)(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol?
The InChIKey is JKUYYOIHICMRIG-WUKNDPDISA-N. The full InChI is InChI=1S/C22H18F2O3S/c23-22(24,28(26,27)20-14-8-3-9-15-20)21(25,19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-17,25H/b17-16+.
What are the key properties of (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol?
(E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol has a molecular weight of 400.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonyl)-1,1-difluoro-2,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 102474223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).