2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene

C16H16O2S — CID 5382410

IUPAC2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-13-7-6-8-14(2)16(13)11-12-19(17,18)15-9-4-3-5-10-15/h3-12H,1-2H3/b12-11+
InChIKeyUDNISBFLONWFHY-VAWYXSNFSA-N
MW272.37 g/mol
LogP3.75
Rot. Bonds3

About 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene

2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene (PubChem CID 5382410) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene
PubChem CID5382410
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-13-7-6-8-14(2)16(13)11-12-19(17,18)15-9-4-3-5-10-15/h3-12H,1-2H3/b12-11+
InChIKeyUDNISBFLONWFHY-VAWYXSNFSA-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 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene (CID 5382410) is 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene is Cc1cccc(C)c1/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene?
The InChIKey is UDNISBFLONWFHY-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16O2S/c1-13-7-6-8-14(2)16(13)11-12-19(17,18)15-9-4-3-5-10-15/h3-12H,1-2H3/b12-11+.
What are the key properties of 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene?
2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-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 2-[(E)-2-(benzenesulfonyl)ethenyl]-1,3-dimethylbenzene is sourced from PubChem (CID 5382410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).