[(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene

C16H16O4S2 — CID 886377

IUPAC[(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene
SMILESC/C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O4S2/c1-2-14(22(19,20)16-11-7-4-8-12-16)13-21(17,18)15-9-5-3-6-10-15/h2-12H,13H2,1H3/b14-2+
InChIKeyCJKQKQQDUSCLEK-JLZUIIAYSA-N
MW336.43 g/mol
LogP2.84
Rot. Bonds5

About [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene

[(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene (PubChem CID 886377) has the molecular formula C16H16O4S2 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene
PubChem CID886377
Molecular FormulaC16H16O4S2
Molecular Weight336.43 g/mol
Exact Mass336.05
IUPAC Name[(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene
SMILESC/C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O4S2/c1-2-14(22(19,20)16-11-7-4-8-12-16)13-21(17,18)15-9-5-3-6-10-15/h2-12H,13H2,1H3/b14-2+
InChIKeyCJKQKQQDUSCLEK-JLZUIIAYSA-N
XLogP2.84
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene?
The IUPAC name of [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene (CID 886377) is [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene?
The canonical SMILES for [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene is C/C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene?
The InChIKey is CJKQKQQDUSCLEK-JLZUIIAYSA-N. The full InChI is InChI=1S/C16H16O4S2/c1-2-14(22(19,20)16-11-7-4-8-12-16)13-21(17,18)15-9-5-3-6-10-15/h2-12H,13H2,1H3/b14-2+.
What are the key properties of [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene?
[(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene has a molecular weight of 336.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfonyl)but-2-enyl]sulfonylbenzene is sourced from PubChem (CID 886377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).