methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate

C20H25NO4SSi — CID 11069487

IUPACmethyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate
SMILESCOC(=O)c1ccc([Si](C)(C)C)c2c1CCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO4SSi/c1-14-6-8-15(9-7-14)26(23,24)21-13-12-16-17(20(22)25-2)10-11-18(19(16)21)27(3,4)5/h6-11H,12-13H2,1-5H3
InChIKeyZWURZGBUZHJZMY-UHFFFAOYSA-N
MW403.58 g/mol
LogP3.08
Rot. Bonds4

About methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate

methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate (PubChem CID 11069487) has the molecular formula C20H25NO4SSi and a molecular weight of 403.58 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate
PubChem CID11069487
Molecular FormulaC20H25NO4SSi
Molecular Weight403.58 g/mol
Exact Mass403.13
IUPAC Namemethyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate
SMILESCOC(=O)c1ccc([Si](C)(C)C)c2c1CCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO4SSi/c1-14-6-8-15(9-7-14)26(23,24)21-13-12-16-17(20(22)25-2)10-11-18(19(16)21)27(3,4)5/h6-11H,12-13H2,1-5H3
InChIKeyZWURZGBUZHJZMY-UHFFFAOYSA-N
XLogP3.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.58
LogP ≤ 53.08
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 methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate (CID 11069487) is methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate is COC(=O)c1ccc([Si](C)(C)C)c2c1CCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate?
The InChIKey is ZWURZGBUZHJZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4SSi/c1-14-6-8-15(9-7-14)26(23,24)21-13-12-16-17(20(22)25-2)10-11-18(19(16)21)27(3,4)5/h6-11H,12-13H2,1-5H3.
What are the key properties of methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate?
methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate has a molecular weight of 403.58 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate is sourced from PubChem (CID 11069487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).