[2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate

C19H24O4SSi — CID 134901160

IUPAC[2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate
SMILESCC(=O)OC(c1ccccc1)C([Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24O4SSi/c1-15(20)23-18(16-11-7-5-8-12-16)19(25(2,3)4)24(21,22)17-13-9-6-10-14-17/h5-14,18-19H,1-4H3
InChIKeyQNWLVYDMQQLZOM-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.01
Rot. Bonds6

About [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate

[2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate (PubChem CID 134901160) has the molecular formula C19H24O4SSi and a molecular weight of 376.55 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate
PubChem CID134901160
Molecular FormulaC19H24O4SSi
Molecular Weight376.55 g/mol
Exact Mass376.12
IUPAC Name[2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate
SMILESCC(=O)OC(c1ccccc1)C([Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24O4SSi/c1-15(20)23-18(16-11-7-5-8-12-16)19(25(2,3)4)24(21,22)17-13-9-6-10-14-17/h5-14,18-19H,1-4H3
InChIKeyQNWLVYDMQQLZOM-UHFFFAOYSA-N
XLogP4.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.01
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

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
(2,5-Dimethylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24980822
Benzyl 2-octylsulfonylacetate
CID 479451
2-Fluorobenzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 2221601
(4-Methylsulfanylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24325396
benzyl (E)-3-(benzenesulfonyl)-3-fluoroprop-2-enoate
CID 13866140
benzyl (Z)-3-(benzenesulfonyl)-3-fluoroprop-2-enoate
CID 134921059
Benzyl 3-[2-(4-fluorophenyl)ethylsulfonyl]propanoate
CID 155929847
Benzyl 4,4-difluoro-4-(phenylsulfonyl)butanoate
CID 163297753
[2-[2-(Acetyloxymethyl)phenyl]sulfonylphenyl]methyl acetate
CID 2802816
benzyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10469386

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate?
The IUPAC name of [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate (CID 134901160) is [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate.
What is the SMILES notation for [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate?
The canonical SMILES for [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate is CC(=O)OC(c1ccccc1)C([Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate?
The InChIKey is QNWLVYDMQQLZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4SSi/c1-15(20)23-18(16-11-7-5-8-12-16)19(25(2,3)4)24(21,22)17-13-9-6-10-14-17/h5-14,18-19H,1-4H3.
What are the key properties of [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate?
[2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate has a molecular weight of 376.55 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-1-phenyl-2-trimethylsilylethyl] acetate is sourced from PubChem (CID 134901160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).