2-(benzenesulfonyl)ethynyl-trimethylsilane

C11H14O2SSi — CID 4183962

IUPAC2-(benzenesulfonyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyZOGJODMBBGQEMR-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.30
Rot. Bonds1

About 2-(benzenesulfonyl)ethynyl-trimethylsilane

2-(benzenesulfonyl)ethynyl-trimethylsilane (PubChem CID 4183962) has the molecular formula C11H14O2SSi and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethynyl-trimethylsilane
PubChem CID4183962
Molecular FormulaC11H14O2SSi
Molecular Weight238.38 g/mol
Exact Mass238.05
IUPAC Name2-(benzenesulfonyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyZOGJODMBBGQEMR-UHFFFAOYSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(benzenesulfonyl)ethynyl-trimethylsilane (CID 4183962) is 2-(benzenesulfonyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(benzenesulfonyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(benzenesulfonyl)ethynyl-trimethylsilane is C[Si](C)(C)C#CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethynyl-trimethylsilane?
The InChIKey is ZOGJODMBBGQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,1-3H3.
What are the key properties of 2-(benzenesulfonyl)ethynyl-trimethylsilane?
2-(benzenesulfonyl)ethynyl-trimethylsilane has a molecular weight of 238.38 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethynyl-trimethylsilane is sourced from PubChem (CID 4183962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).