1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene

C16H16O2S — CID 13164860

IUPAC1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C/S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16O2S/c1-14-7-9-15(10-8-14)11-12-19(17,18)13-16-5-3-2-4-6-16/h2-12H,13H2,1H3/b12-11+
InChIKeyCYONJZNVDFMCRO-VAWYXSNFSA-N
MW272.37 g/mol
LogP3.58
Rot. Bonds4

About 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene

1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene (PubChem CID 13164860) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
PubChem CID13164860
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C/S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H16O2S/c1-14-7-9-15(10-8-14)11-12-19(17,18)13-16-5-3-2-4-6-16/h2-12H,13H2,1H3/b12-11+
InChIKeyCYONJZNVDFMCRO-VAWYXSNFSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
CID 6158098
1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
CID 5388092
(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
CID 52697174
1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol
CID 101385731
1,3,5-trifluoro-2-[2-[(4-methylphenyl)methylsulfonyl]ethenyl]benzene
CID 91462317
1,4-bis(2-ethylsulfonylethenyl)benzene
CID 57028343
3-bromoprop-1-enylsulfonylmethylbenzene
CID 73028259
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
4-[(E)-2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzoic acid
CID 11258895
1-methyl-4-[(E)-2-(2-phenylethynylsulfonyl)ethenyl]benzene
CID 15505872
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene (CID 13164860) is 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene is Cc1ccc(/C=C/S(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene?
The InChIKey is CYONJZNVDFMCRO-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16O2S/c1-14-7-9-15(10-8-14)11-12-19(17,18)13-16-5-3-2-4-6-16/h2-12H,13H2,1H3/b12-11+.
What are the key properties of 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene?
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene has a molecular weight of 272.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene is sourced from PubChem (CID 13164860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).