2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane

C14H23BrO3SSi — CID 69350250

IUPAC2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrO3SSi/c1-14(2,3)20(4,5)18-10-11-19(16,17)13-8-6-12(15)7-9-13/h6-9H,10-11H2,1-5H3
InChIKeyYWBBYUXSRDMIEU-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane

2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane (PubChem CID 69350250) has the molecular formula C14H23BrO3SSi and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane
PubChem CID69350250
Molecular FormulaC14H23BrO3SSi
Molecular Weight379.39 g/mol
Exact Mass378.03
IUPAC Name2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrO3SSi/c1-14(2,3)20(4,5)18-10-11-19(16,17)13-8-6-12(15)7-9-13/h6-9H,10-11H2,1-5H3
InChIKeyYWBBYUXSRDMIEU-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane (CID 69350250) is 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane?
The InChIKey is YWBBYUXSRDMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO3SSi/c1-14(2,3)20(4,5)18-10-11-19(16,17)13-8-6-12(15)7-9-13/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane?
2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane has a molecular weight of 379.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonylethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 69350250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).