trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane

C18H24O2SSi — CID 14935093

IUPACtrimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane
SMILESCc1ccc(S(=O)(=O)Cc2ccccc2C[Si](C)(C)C)cc1
InChIInChI=1S/C18H24O2SSi/c1-15-9-11-18(12-10-15)21(19,20)13-16-7-5-6-8-17(16)14-22(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyIKNNZVHBMIGXJY-UHFFFAOYSA-N
MW332.54 g/mol
LogP4.39
Rot. Bonds5

About trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane

trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane (PubChem CID 14935093) has the molecular formula C18H24O2SSi and a molecular weight of 332.54 g/mol. Its IUPAC name is trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane
PubChem CID14935093
Molecular FormulaC18H24O2SSi
Molecular Weight332.54 g/mol
Exact Mass332.13
IUPAC Nametrimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane
SMILESCc1ccc(S(=O)(=O)Cc2ccccc2C[Si](C)(C)C)cc1
InChIInChI=1S/C18H24O2SSi/c1-15-9-11-18(12-10-15)21(19,20)13-16-7-5-6-8-17(16)14-22(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyIKNNZVHBMIGXJY-UHFFFAOYSA-N
XLogP4.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]aniline
CID 58287501
1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
CID 10882589
3,6-dichloro-4-[(4-methylphenyl)sulfonylmethyl]pyridazine
CID 10925155
trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
CID 85436146
1-amino-4-[(4-methylphenyl)sulfonylmethyl]anthracene-9,10-dione
CID 15369749
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
1,4-dichloro-2-[(4-methylphenyl)sulfonylmethyl]benzene
CID 173074233
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
CID 122679524
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-[4-[[3-[(4-methylphenyl)sulfonylmethyl]quinoxalin-2-yl]methyl]phenyl]propan-2-one
CID 58274360
(2-methylphenyl)methyl 4-methylbenzenesulfonate
CID 22244921

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane?
The IUPAC name of trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane (CID 14935093) is trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane.
What is the SMILES notation for trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane?
The canonical SMILES for trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane is Cc1ccc(S(=O)(=O)Cc2ccccc2C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane?
The InChIKey is IKNNZVHBMIGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2SSi/c1-15-9-11-18(12-10-15)21(19,20)13-16-7-5-6-8-17(16)14-22(2,3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane?
trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane has a molecular weight of 332.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane is sourced from PubChem (CID 14935093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).