cyclohex-2-en-1-ylsulfonylbenzene

C12H14O2S — CID 4622731

IUPACcyclohex-2-en-1-ylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C12H14O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKeyDIHRJKGTAFQMJV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.57
Rot. Bonds2

About cyclohex-2-en-1-ylsulfonylbenzene

cyclohex-2-en-1-ylsulfonylbenzene (PubChem CID 4622731) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is cyclohex-2-en-1-ylsulfonylbenzene.

Molecular Properties

Compound Namecyclohex-2-en-1-ylsulfonylbenzene
PubChem CID4622731
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Namecyclohex-2-en-1-ylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C12H14O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2
InChIKeyDIHRJKGTAFQMJV-UHFFFAOYSA-N
XLogP2.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.57
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 cyclohex-2-en-1-ylsulfonylbenzene?
The IUPAC name of cyclohex-2-en-1-ylsulfonylbenzene (CID 4622731) is cyclohex-2-en-1-ylsulfonylbenzene.
What is the SMILES notation for cyclohex-2-en-1-ylsulfonylbenzene?
The canonical SMILES for cyclohex-2-en-1-ylsulfonylbenzene is O=S(=O)(c1ccccc1)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylsulfonylbenzene?
The InChIKey is DIHRJKGTAFQMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2.
What are the key properties of cyclohex-2-en-1-ylsulfonylbenzene?
cyclohex-2-en-1-ylsulfonylbenzene has a molecular weight of 222.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylsulfonylbenzene is sourced from PubChem (CID 4622731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).