[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane

C17H19NO2SSi — CID 12908469

IUPAC[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H19NO2SSi/c1-22(2,3)17-13-18(16-12-8-7-11-15(16)17)21(19,20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyBUOIWHOGVCCSJN-UHFFFAOYSA-N
MW329.50 g/mol
LogP3.42
Rot. Bonds3

About [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane

[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane (PubChem CID 12908469) has the molecular formula C17H19NO2SSi and a molecular weight of 329.50 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
PubChem CID12908469
Molecular FormulaC17H19NO2SSi
Molecular Weight329.50 g/mol
Exact Mass329.09
IUPAC Name[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H19NO2SSi/c1-22(2,3)17-13-18(16-12-8-7-11-15(16)17)21(19,20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyBUOIWHOGVCCSJN-UHFFFAOYSA-N
XLogP3.42
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane 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

1-(benzenesulfonyl)indol-3-amine
CID 142808384
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
1-(benzenesulfonyl)-3-benzylindole
CID 86142945
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015
3-(benzenesulfinylmethyl)-1-(benzenesulfonyl)indole
CID 86057448
1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-2-en-1-one
CID 14061753
1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-3-en-1-ol
CID 10521192
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 71694981
(3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanenitrile
CID 10892690
4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
CID 155534152
1-[1-(benzenesulfonyl)indol-3-yl]-2,2-dibromoethanone
CID 165354789
5-[1-(benzenesulfonyl)indol-3-yl]-2-benzyl-1,3-oxazole
CID 101460041

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane (CID 12908469) is [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane is C[Si](C)(C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane?
The InChIKey is BUOIWHOGVCCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2SSi/c1-22(2,3)17-13-18(16-12-8-7-11-15(16)17)21(19,20)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane?
[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane has a molecular weight of 329.50 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-3-yl]-trimethylsilane is sourced from PubChem (CID 12908469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).