[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane

C11H17ClO2SSi — CID 15914587

IUPAC[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane
SMILESCc1ccc(S(=O)(=O)C(Cl)[Si](C)(C)C)cc1
InChIInChI=1S/C11H17ClO2SSi/c1-9-5-7-10(8-6-9)15(13,14)11(12)16(2,3)4/h5-8,11H,1-4H3
InChIKeyWDMBPIADGNZMNS-UHFFFAOYSA-N
MW276.86 g/mol
LogP3.21
Rot. Bonds3

About [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane

[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane (PubChem CID 15914587) has the molecular formula C11H17ClO2SSi and a molecular weight of 276.86 g/mol. Its IUPAC name is [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane
PubChem CID15914587
Molecular FormulaC11H17ClO2SSi
Molecular Weight276.86 g/mol
Exact Mass276.04
IUPAC Name[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane
SMILESCc1ccc(S(=O)(=O)C(Cl)[Si](C)(C)C)cc1
InChIInChI=1S/C11H17ClO2SSi/c1-9-5-7-10(8-6-9)15(13,14)11(12)16(2,3)4/h5-8,11H,1-4H3
InChIKeyWDMBPIADGNZMNS-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.86
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane?
The IUPAC name of [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane (CID 15914587) is [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane.
What is the SMILES notation for [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane?
The canonical SMILES for [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane is Cc1ccc(S(=O)(=O)C(Cl)[Si](C)(C)C)cc1.
What is the InChIKey of [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane?
The InChIKey is WDMBPIADGNZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2SSi/c1-9-5-7-10(8-6-9)15(13,14)11(12)16(2,3)4/h5-8,11H,1-4H3.
What are the key properties of [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane?
[chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane has a molecular weight of 276.86 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-methylphenyl)sulfonylmethyl]-trimethylsilane is sourced from PubChem (CID 15914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).