1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene

C16H16O3S — CID 13140763

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCOc1ccc(/C=C/S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O3S/c1-13-3-9-16(10-4-13)20(17,18)12-11-14-5-7-15(19-2)8-6-14/h3-12H,1-2H3/b12-11+
InChIKeyURHYHHAUTHFCCA-VAWYXSNFSA-N
MW288.37 g/mol
LogP3.45
Rot. Bonds4

About 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene

1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene (PubChem CID 13140763) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
PubChem CID13140763
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
SMILESCOc1ccc(/C=C/S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O3S/c1-13-3-9-16(10-4-13)20(17,18)12-11-14-5-7-15(19-2)8-6-14/h3-12H,1-2H3/b12-11+
InChIKeyURHYHHAUTHFCCA-VAWYXSNFSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
(E)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90553146
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-[2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 11656939
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
[4-[(E)-2-(benzenesulfonyl)ethenyl]phenyl] acetate
CID 101207507
1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
CID 13418310
N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide
CID 121254637

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene (CID 13140763) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene is COc1ccc(/C=C/S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene?
The InChIKey is URHYHHAUTHFCCA-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16O3S/c1-13-3-9-16(10-4-13)20(17,18)12-11-14-5-7-15(19-2)8-6-14/h3-12H,1-2H3/b12-11+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene?
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene has a molecular weight of 288.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 13140763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).