[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane

C28H33NO3SSi — CID 59831708

IUPAC[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C28H33NO3SSi/c1-28(2,3)34(4,5)32-21-26(22-12-8-6-9-13-22)23-16-17-27-24(20-23)18-19-29(27)33(30,31)25-14-10-7-11-15-25/h6-20,26H,21H2,1-5H3
InChIKeyDWZWIBNJOQXTAQ-UHFFFAOYSA-N
MW491.73 g/mol
LogP7.03
Rot. Bonds7

About [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane

[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane (PubChem CID 59831708) has the molecular formula C28H33NO3SSi and a molecular weight of 491.73 g/mol. Its IUPAC name is [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane
PubChem CID59831708
Molecular FormulaC28H33NO3SSi
Molecular Weight491.73 g/mol
Exact Mass491.20
IUPAC Name[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C28H33NO3SSi/c1-28(2,3)34(4,5)32-21-26(22-12-8-6-9-13-22)23-16-17-27-24(20-23)18-19-29(27)33(30,31)25-14-10-7-11-15-25/h6-20,26H,21H2,1-5H3
InChIKeyDWZWIBNJOQXTAQ-UHFFFAOYSA-N
XLogP7.03
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.73
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane (CID 59831708) is [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane?
The InChIKey is DWZWIBNJOQXTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3SSi/c1-28(2,3)34(4,5)32-21-26(22-12-8-6-9-13-22)23-16-17-27-24(20-23)18-19-29(27)33(30,31)25-14-10-7-11-15-25/h6-20,26H,21H2,1-5H3.
What are the key properties of [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane?
[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane has a molecular weight of 491.73 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 59831708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).