1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene

C16H16O2S — CID 132577543

IUPAC1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene
SMILESC=C(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-12-9-13(2)11-15(10-12)14(3)19(17,18)16-7-5-4-6-8-16/h4-11H,3H2,1-2H3
InChIKeyVNIXJDDSJUDZKF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.75
Rot. Bonds3

About 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene

1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene (PubChem CID 132577543) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene
PubChem CID132577543
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene
SMILESC=C(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-12-9-13(2)11-15(10-12)14(3)19(17,18)16-7-5-4-6-8-16/h4-11H,3H2,1-2H3
InChIKeyVNIXJDDSJUDZKF-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene (CID 132577543) is 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene is C=C(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene?
The InChIKey is VNIXJDDSJUDZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-12-9-13(2)11-15(10-12)14(3)19(17,18)16-7-5-4-6-8-16/h4-11H,3H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene?
1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene has a molecular weight of 272.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)ethenyl]-3,5-dimethylbenzene is sourced from PubChem (CID 132577543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).