[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene

C14H12O4S2 — CID 5367099

IUPAC[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKeyYGBXMKGCEHIWMO-VAWYXSNFSA-N
MW308.38 g/mol
LogP2.41
Rot. Bonds4

About [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene

[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene (PubChem CID 5367099) has the molecular formula C14H12O4S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
PubChem CID5367099
Molecular FormulaC14H12O4S2
Molecular Weight308.38 g/mol
Exact Mass308.02
IUPAC Name[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
SMILESO=S(=O)(/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKeyYGBXMKGCEHIWMO-VAWYXSNFSA-N
XLogP2.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene?
The IUPAC name of [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene (CID 5367099) is [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene is O=S(=O)(/C=C/S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene?
The InChIKey is YGBXMKGCEHIWMO-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+.
What are the key properties of [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene?
[(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene has a molecular weight of 308.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene is sourced from PubChem (CID 5367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).