tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane

C23H31NO3SSi — CID 11453175

IUPACtert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
SMILESCc1ccc(S(=O)(=O)n2cc(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C23H31NO3SSi/c1-18-11-13-20(14-12-18)28(25,26)24-17-19(21-9-7-8-10-22(21)24)15-16-27-29(5,6)23(2,3)4/h7-14,17H,15-16H2,1-6H3
InChIKeyFOLKOXLIMYLZQF-UHFFFAOYSA-N
MW429.66 g/mol
LogP5.75
Rot. Bonds6

About tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane (PubChem CID 11453175) has the molecular formula C23H31NO3SSi and a molecular weight of 429.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
PubChem CID11453175
Molecular FormulaC23H31NO3SSi
Molecular Weight429.66 g/mol
Exact Mass429.18
IUPAC Nametert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
SMILESCc1ccc(S(=O)(=O)n2cc(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C23H31NO3SSi/c1-18-11-13-20(14-12-18)28(25,26)24-17-19(21-9-7-8-10-22(21)24)15-16-27-29(5,6)23(2,3)4/h7-14,17H,15-16H2,1-6H3
InChIKeyFOLKOXLIMYLZQF-UHFFFAOYSA-N
XLogP5.75
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.66
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(benzenesulfonyl)ethynyl]-1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy-tert-butyl-dimethylsilane
CID 162412592
(1R,2S)-1-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4-methylphenyl)sulfonylindol-4-yl]-3-methylbutane-1,2,3-triol
CID 56934439
tert-butyl-dimethyl-[4-[1-(4-methylphenyl)sulfonylindol-2-yl]butoxy]silane
CID 102159661
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine
CID 176845478
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
(2R)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 131717762
1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol
CID 134945061
N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 138983524
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline
CID 23757270

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane (CID 11453175) is tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane is Cc1ccc(S(=O)(=O)n2cc(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane?
The InChIKey is FOLKOXLIMYLZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3SSi/c1-18-11-13-20(14-12-18)28(25,26)24-17-19(21-9-7-8-10-22(21)24)15-16-27-29(5,6)23(2,3)4/h7-14,17H,15-16H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane has a molecular weight of 429.66 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane is sourced from PubChem (CID 11453175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).