[benzenesulfonyl(phenyl)methyl]-trimethylsilane

C16H20O2SSi — CID 13164703

IUPAC[benzenesulfonyl(phenyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20O2SSi/c1-20(2,3)16(14-10-6-4-7-11-14)19(17,18)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeySJWNMHLAXTXKHC-UHFFFAOYSA-N
MW304.49 g/mol
LogP4.08
Rot. Bonds4

About [benzenesulfonyl(phenyl)methyl]-trimethylsilane

[benzenesulfonyl(phenyl)methyl]-trimethylsilane (PubChem CID 13164703) has the molecular formula C16H20O2SSi and a molecular weight of 304.49 g/mol. Its IUPAC name is [benzenesulfonyl(phenyl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[benzenesulfonyl(phenyl)methyl]-trimethylsilane
PubChem CID13164703
Molecular FormulaC16H20O2SSi
Molecular Weight304.49 g/mol
Exact Mass304.10
IUPAC Name[benzenesulfonyl(phenyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20O2SSi/c1-20(2,3)16(14-10-6-4-7-11-14)19(17,18)15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeySJWNMHLAXTXKHC-UHFFFAOYSA-N
XLogP4.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Dibenzyl sulfone
CID 69282
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
Phenyl trans-Styryl Sulfone
CID 736143
Benzyl phenyl sulfoxide
CID 239581
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
Ditosylmethane
CID 275690
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(phenyl)methyl]-trimethylsilane?
The IUPAC name of [benzenesulfonyl(phenyl)methyl]-trimethylsilane (CID 13164703) is [benzenesulfonyl(phenyl)methyl]-trimethylsilane.
What is the SMILES notation for [benzenesulfonyl(phenyl)methyl]-trimethylsilane?
The canonical SMILES for [benzenesulfonyl(phenyl)methyl]-trimethylsilane is C[Si](C)(C)C(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(phenyl)methyl]-trimethylsilane?
The InChIKey is SJWNMHLAXTXKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2SSi/c1-20(2,3)16(14-10-6-4-7-11-14)19(17,18)15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of [benzenesulfonyl(phenyl)methyl]-trimethylsilane?
[benzenesulfonyl(phenyl)methyl]-trimethylsilane has a molecular weight of 304.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(phenyl)methyl]-trimethylsilane is sourced from PubChem (CID 13164703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).