[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene

C21H15F3O2S — CID 11025526

IUPAC[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
SMILESO=S(=O)(/C(=C(\c1ccccc1)C(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F3O2S/c22-21(23,24)19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)27(25,26)18-14-8-3-9-15-18/h1-15H/b20-19+
InChIKeyLYLWMRAARASJLS-FMQUCBEESA-N
MW388.41 g/mol
LogP5.59
Rot. Bonds4

About [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene

[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene (PubChem CID 11025526) has the molecular formula C21H15F3O2S and a molecular weight of 388.41 g/mol. Its IUPAC name is [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
PubChem CID11025526
Molecular FormulaC21H15F3O2S
Molecular Weight388.41 g/mol
Exact Mass388.07
IUPAC Name[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
SMILESO=S(=O)(/C(=C(\c1ccccc1)C(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F3O2S/c22-21(23,24)19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)27(25,26)18-14-8-3-9-15-18/h1-15H/b20-19+
InChIKeyLYLWMRAARASJLS-FMQUCBEESA-N
XLogP5.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoroprop-1-en-2-ylsulfonylbenzene
CID 10922506
4,4-bis(benzenesulfonyl)-1,1,1-trifluorobut-3-en-2-one
CID 11177157
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
(3E)-1,1,1-trifluoro-3-[methylsulfonyl(phenyl)methylidene]pentan-2-one
CID 11120324
ethane;trifluoromethylsulfonylbenzene
CID 144556552
benzoic acid;sulfuryl difluoride
CID 22153377
[(Z)-2-(benzenesulfonyl)-2-phenylethenyl]-diphenylselanium;trifluoromethanesulfonate
CID 10952281
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
[benzenesulfonyl(diazo)methyl]benzene
CID 15258201
[3-(benzenesulfonyl)-1,3-diphenylpropa-1,2-dienyl]benzene
CID 122210442
(Z)-2-(benzenesulfonyl)-1-phenylprop-1-en-1-olate
CID 134090409

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene?
The IUPAC name of [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene (CID 11025526) is [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene is O=S(=O)(/C(=C(\c1ccccc1)C(F)(F)F)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene?
The InChIKey is LYLWMRAARASJLS-FMQUCBEESA-N. The full InChI is InChI=1S/C21H15F3O2S/c22-21(23,24)19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)27(25,26)18-14-8-3-9-15-18/h1-15H/b20-19+.
What are the key properties of [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene?
[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene has a molecular weight of 388.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene is sourced from PubChem (CID 11025526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).