2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane

C18H24O5SSi — CID 90226834

IUPAC2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(CS(=O)(=O)c2ccccc2)cc1)(OC)OC
InChIInChI=1S/C18H24O5SSi/c1-21-25(22-2,23-3)14-13-16-9-11-17(12-10-16)15-24(19,20)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3
InChIKeyUFFVRBAINCAJLT-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.08
Rot. Bonds9

About 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane

2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane (PubChem CID 90226834) has the molecular formula C18H24O5SSi and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
PubChem CID90226834
Molecular FormulaC18H24O5SSi
Molecular Weight380.54 g/mol
Exact Mass380.11
IUPAC Name2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
SMILESCO[Si](CCc1ccc(CS(=O)(=O)c2ccccc2)cc1)(OC)OC
InChIInChI=1S/C18H24O5SSi/c1-21-25(22-2,23-3)14-13-16-9-11-17(12-10-16)15-24(19,20)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3
InChIKeyUFFVRBAINCAJLT-UHFFFAOYSA-N
XLogP3.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane
CID 90226967
3-[4-(benzenesulfonylmethyl)phenyl]propanal
CID 159741196
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
4-(benzenesulfonylmethyl)-1-bromo-2-methoxybenzene
CID 141296183
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
CID 174823491
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
dimethoxy-[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-methylsilane
CID 90224558
3-(benzenesulfonylmethyl)-5-methoxyaniline
CID 81155112
3-(benzenesulfonyl)propyl-(iodomethoxy)-dimethoxysilane
CID 172597149

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane?
The IUPAC name of 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane (CID 90226834) is 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane is CO[Si](CCc1ccc(CS(=O)(=O)c2ccccc2)cc1)(OC)OC.
What is the InChIKey of 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane?
The InChIKey is UFFVRBAINCAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5SSi/c1-21-25(22-2,23-3)14-13-16-9-11-17(12-10-16)15-24(19,20)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3.
What are the key properties of 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane?
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane has a molecular weight of 380.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane is sourced from PubChem (CID 90226834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).