tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane

C26H31FO3SSi — CID 10719175

IUPACtert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCS(=O)(=O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31FO3SSi/c1-26(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)30-20-10-11-21-31(28,29)23-18-16-22(27)17-19-23/h4-9,12-19H,10-11,20-21H2,1-3H3
InChIKeyJZPLBHDQTWMQQQ-UHFFFAOYSA-N
MW470.68 g/mol
LogP4.96
Rot. Bonds9

About tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane

tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane (PubChem CID 10719175) has the molecular formula C26H31FO3SSi and a molecular weight of 470.68 g/mol. Its IUPAC name is tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane
PubChem CID10719175
Molecular FormulaC26H31FO3SSi
Molecular Weight470.68 g/mol
Exact Mass470.17
IUPAC Nametert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCS(=O)(=O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31FO3SSi/c1-26(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)30-20-10-11-21-31(28,29)23-18-16-22(27)17-19-23/h4-9,12-19H,10-11,20-21H2,1-3H3
InChIKeyJZPLBHDQTWMQQQ-UHFFFAOYSA-N
XLogP4.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyldiphenyl(2-(phenylsulfonyl)ethyl)silane
CID 11014023
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
Methyldiphenyl(2-(phenylsulfonyl)allyl)silane
CID 166637015
[2-(Benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane
CID 10981893
[4-[(4-Fluorophenyl)sulfonylmethyl]phenyl]-trimethoxysilane
CID 90218085
[4-[(4-Fluorophenyl)sulfonylmethyl]phenyl]-dimethoxy-methylsilane
CID 90224541
diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
CID 90224556
Diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
CID 90224596

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane (CID 10719175) is tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCS(=O)(=O)c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane?
The InChIKey is JZPLBHDQTWMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FO3SSi/c1-26(2,3)32(24-12-6-4-7-13-24,25-14-8-5-9-15-25)30-20-10-11-21-31(28,29)23-18-16-22(27)17-19-23/h4-9,12-19H,10-11,20-21H2,1-3H3.
What are the key properties of tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane?
tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane has a molecular weight of 470.68 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4-fluorophenyl)sulfonylbutoxy]-diphenylsilane is sourced from PubChem (CID 10719175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).