2-(benzenesulfonyl)ethyl-methyl-diphenylsilane

C21H22O2SSi — CID 11014023

IUPAC2-(benzenesulfonyl)ethyl-methyl-diphenylsilane
SMILESC[Si](CCS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O2SSi/c1-25(20-13-7-3-8-14-20,21-15-9-4-10-16-21)18-17-24(22,23)19-11-5-2-6-12-19/h2-16H,17-18H2,1H3
InChIKeyRLQXIPZZASTLIK-UHFFFAOYSA-N
MW366.56 g/mol
LogP3.35
Rot. Bonds6

About 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane

2-(benzenesulfonyl)ethyl-methyl-diphenylsilane (PubChem CID 11014023) has the molecular formula C21H22O2SSi and a molecular weight of 366.56 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethyl-methyl-diphenylsilane
PubChem CID11014023
Molecular FormulaC21H22O2SSi
Molecular Weight366.56 g/mol
Exact Mass366.11
IUPAC Name2-(benzenesulfonyl)ethyl-methyl-diphenylsilane
SMILESC[Si](CCS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22O2SSi/c1-25(20-13-7-3-8-14-20,21-15-9-4-10-16-21)18-17-24(22,23)19-11-5-2-6-12-19/h2-16H,17-18H2,1H3
InChIKeyRLQXIPZZASTLIK-UHFFFAOYSA-N
XLogP3.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane?
The IUPAC name of 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane (CID 11014023) is 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane.
What is the SMILES notation for 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane?
The canonical SMILES for 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane is C[Si](CCS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane?
The InChIKey is RLQXIPZZASTLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2SSi/c1-25(20-13-7-3-8-14-20,21-15-9-4-10-16-21)18-17-24(22,23)19-11-5-2-6-12-19/h2-16H,17-18H2,1H3.
What are the key properties of 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane?
2-(benzenesulfonyl)ethyl-methyl-diphenylsilane has a molecular weight of 366.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethyl-methyl-diphenylsilane is sourced from PubChem (CID 11014023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).