[2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane

C21H21FO2SSi — CID 10981893

IUPAC[2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane
SMILESC[Si](CC(F)S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21FO2SSi/c1-26(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-21(22)25(23,24)18-11-5-2-6-12-18/h2-16,21H,17H2,1H3
InChIKeyBJKFKDRAEDWPJC-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.65
Rot. Bonds6

About [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane

[2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane (PubChem CID 10981893) has the molecular formula C21H21FO2SSi and a molecular weight of 384.55 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane
PubChem CID10981893
Molecular FormulaC21H21FO2SSi
Molecular Weight384.55 g/mol
Exact Mass384.10
IUPAC Name[2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane
SMILESC[Si](CC(F)S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21FO2SSi/c1-26(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-21(22)25(23,24)18-11-5-2-6-12-18/h2-16,21H,17H2,1H3
InChIKeyBJKFKDRAEDWPJC-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
1,1'-(2-Butene-1,2-diyldisulfonyl)dibenzene
CID 886377
9-Thia-10-silaanthracene 9,9-dioxide, 10,10-dimethyl-
CID 140394
[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane
CID 134875849
AG-G-90643
CID 2724975
Methyldiphenyl(2-(phenylsulfonyl)ethyl)silane
CID 11014023
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
Diphenyl(trimethylsilylmethyl)sulfanium;trifluoromethanesulfonate
CID 10884343
{[2-(Benzenesulfonyl)-2-fluoroethyl]sulfanyl}benzene
CID 13866143
[Diphenyl(trimethylsilylmethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 14943478
[1-(Benzenesulfonyl)-3-fluoropentyl]sulfonylbenzene
CID 15832190
(3,3-Difluoro-3-(phenylsulfonyl)propyl)trimethylsilane
CID 16744214

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane?
The IUPAC name of [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane (CID 10981893) is [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane.
What is the SMILES notation for [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane?
The canonical SMILES for [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane is C[Si](CC(F)S(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane?
The InChIKey is BJKFKDRAEDWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FO2SSi/c1-26(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-21(22)25(23,24)18-11-5-2-6-12-18/h2-16,21H,17H2,1H3.
What are the key properties of [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane?
[2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane has a molecular weight of 384.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2-fluoroethyl]-methyl-diphenylsilane is sourced from PubChem (CID 10981893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).