1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene

C16H15FO2S — CID 14087488

IUPAC1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
SMILESCc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2S/c1-13-2-4-15(5-3-13)12-20(18,19)11-10-14-6-8-16(17)9-7-14/h2-11H,12H2,1H3/b11-10+
InChIKeyNADQEKVIWDZJBS-ZHACJKMWSA-N
MW290.36 g/mol
LogP3.72
Rot. Bonds4

About 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene

1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene (PubChem CID 14087488) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
PubChem CID14087488
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
SMILESCc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2S/c1-13-2-4-15(5-3-13)12-20(18,19)11-10-14-6-8-16(17)9-7-14/h2-11H,12H2,1H3/b11-10+
InChIKeyNADQEKVIWDZJBS-ZHACJKMWSA-N
XLogP3.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene?
The IUPAC name of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene (CID 14087488) is 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene.
What is the SMILES notation for 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene?
The canonical SMILES for 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene is Cc1ccc(CS(=O)(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene?
The InChIKey is NADQEKVIWDZJBS-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-13-2-4-15(5-3-13)12-20(18,19)11-10-14-6-8-16(17)9-7-14/h2-11H,12H2,1H3/b11-10+.
What are the key properties of 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene?
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene has a molecular weight of 290.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene is sourced from PubChem (CID 14087488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).