[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane

C20H24FNO2SSi — CID 132568411

IUPAC[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane
SMILESCc1cc(C)c(S(=O)(=O)n2c(F)c([Si](C)(C)C)c3ccccc32)c(C)c1
InChIInChI=1S/C20H24FNO2SSi/c1-13-11-14(2)18(15(3)12-13)25(23,24)22-17-10-8-7-9-16(17)19(20(22)21)26(4,5)6/h7-12H,1-6H3
InChIKeyKFMHFXAEOOEFKU-UHFFFAOYSA-N
MW389.57 g/mol
LogP4.49
Rot. Bonds3

About [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane

[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane (PubChem CID 132568411) has the molecular formula C20H24FNO2SSi and a molecular weight of 389.57 g/mol. Its IUPAC name is [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane
PubChem CID132568411
Molecular FormulaC20H24FNO2SSi
Molecular Weight389.57 g/mol
Exact Mass389.13
IUPAC Name[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane
SMILESCc1cc(C)c(S(=O)(=O)n2c(F)c([Si](C)(C)C)c3ccccc32)c(C)c1
InChIInChI=1S/C20H24FNO2SSi/c1-13-11-14(2)18(15(3)12-13)25(23,24)22-17-10-8-7-9-16(17)19(20(22)21)26(4,5)6/h7-12H,1-6H3
InChIKeyKFMHFXAEOOEFKU-UHFFFAOYSA-N
XLogP4.49
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane?
The IUPAC name of [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane (CID 132568411) is [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane.
What is the SMILES notation for [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane?
The canonical SMILES for [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane is Cc1cc(C)c(S(=O)(=O)n2c(F)c([Si](C)(C)C)c3ccccc32)c(C)c1.
What is the InChIKey of [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane?
The InChIKey is KFMHFXAEOOEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2SSi/c1-13-11-14(2)18(15(3)12-13)25(23,24)22-17-10-8-7-9-16(17)19(20(22)21)26(4,5)6/h7-12H,1-6H3.
What are the key properties of [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane?
[2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane has a molecular weight of 389.57 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]-trimethylsilane is sourced from PubChem (CID 132568411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).