but-3-enylsulfonylbenzene

C10H12O2S — CID 10867248

IUPACbut-3-enylsulfonylbenzene
SMILESC=CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
InChIKeyVYSNVPOLYKGHCI-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.04
Rot. Bonds4

About but-3-enylsulfonylbenzene

but-3-enylsulfonylbenzene (PubChem CID 10867248) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is but-3-enylsulfonylbenzene.

Molecular Properties

Compound Namebut-3-enylsulfonylbenzene
PubChem CID10867248
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namebut-3-enylsulfonylbenzene
SMILESC=CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
InChIKeyVYSNVPOLYKGHCI-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enylsulfonylbenzene?
The IUPAC name of but-3-enylsulfonylbenzene (CID 10867248) is but-3-enylsulfonylbenzene.
What is the SMILES notation for but-3-enylsulfonylbenzene?
The canonical SMILES for but-3-enylsulfonylbenzene is C=CCCS(=O)(=O)c1ccccc1.
What is the InChIKey of but-3-enylsulfonylbenzene?
The InChIKey is VYSNVPOLYKGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2.
What are the key properties of but-3-enylsulfonylbenzene?
but-3-enylsulfonylbenzene has a molecular weight of 196.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylsulfonylbenzene is sourced from PubChem (CID 10867248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).