[(E)-but-2-en-2-yl]sulfonylbenzene

C10H12O2S — CID 11041679

IUPAC[(E)-but-2-en-2-yl]sulfonylbenzene
SMILESC/C=C(\C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+
InChIKeyMOEOUHUWFRMXEI-YCRREMRBSA-N
MW196.27 g/mol
LogP2.38
Rot. Bonds2

About [(E)-but-2-en-2-yl]sulfonylbenzene

[(E)-but-2-en-2-yl]sulfonylbenzene (PubChem CID 11041679) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]sulfonylbenzene
PubChem CID11041679
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name[(E)-but-2-en-2-yl]sulfonylbenzene
SMILESC/C=C(\C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+
InChIKeyMOEOUHUWFRMXEI-YCRREMRBSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl]sulfonylbenzene?
The IUPAC name of [(E)-but-2-en-2-yl]sulfonylbenzene (CID 11041679) is [(E)-but-2-en-2-yl]sulfonylbenzene.
What is the SMILES notation for [(E)-but-2-en-2-yl]sulfonylbenzene?
The canonical SMILES for [(E)-but-2-en-2-yl]sulfonylbenzene is C/C=C(\C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-but-2-en-2-yl]sulfonylbenzene?
The InChIKey is MOEOUHUWFRMXEI-YCRREMRBSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-9(2)13(11,12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+.
What are the key properties of [(E)-but-2-en-2-yl]sulfonylbenzene?
[(E)-but-2-en-2-yl]sulfonylbenzene has a molecular weight of 196.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl]sulfonylbenzene is sourced from PubChem (CID 11041679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).