(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane

C18H24O2SSi — CID 10544593

IUPAC(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane
SMILESC[Si](C)(C)C(CS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24O2SSi/c1-22(2,3)18(17-12-8-5-9-13-17)15-21(19,20)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3
InChIKeyINYWVFZCDHHWGA-UHFFFAOYSA-N
MW332.54 g/mol
LogP4.26
Rot. Bonds6

About (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane

(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane (PubChem CID 10544593) has the molecular formula C18H24O2SSi and a molecular weight of 332.54 g/mol. Its IUPAC name is (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane.

Molecular Properties

Compound Name(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane
PubChem CID10544593
Molecular FormulaC18H24O2SSi
Molecular Weight332.54 g/mol
Exact Mass332.13
IUPAC Name(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane
SMILESC[Si](C)(C)C(CS(=O)(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24O2SSi/c1-22(2,3)18(17-12-8-5-9-13-17)15-21(19,20)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3
InChIKeyINYWVFZCDHHWGA-UHFFFAOYSA-N
XLogP4.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 54.26
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

(2S,3S)-2-(benzylsulfonylmethyl)-3-phenylbutanoic acid
CID 10336874
2,2-dimethoxyethylsulfonylmethylbenzene
CID 66221543
2-amino-3-benzylsulfonylpropanoic acid
CID 4142691
2,2-diethoxyethylsulfonylmethylbenzene
CID 64641584
2-benzylsulfonyl-1-(4-methylphenyl)ethanol
CID 111472432
3-benzylsulfonylpropane-1,2-diol
CID 111757505
[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane
CID 13173223
1-(1-benzylsulfonylpropan-2-yl)-4-(trifluoromethyl)benzene
CID 135065934
1-benzylsulfonyl-N-propylpropan-2-amine
CID 64645364
1-(2-benzylsulfonyl-1-chloroethyl)-4-chlorobenzene
CID 86105400
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
[(Z)-but-2-enyl]sulfonylmethylbenzene
CID 13353863

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane?
The IUPAC name of (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane (CID 10544593) is (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane.
What is the SMILES notation for (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane?
The canonical SMILES for (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane is C[Si](C)(C)C(CS(=O)(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane?
The InChIKey is INYWVFZCDHHWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2SSi/c1-22(2,3)18(17-12-8-5-9-13-17)15-21(19,20)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3.
What are the key properties of (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane?
(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane has a molecular weight of 332.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfonyl-1-phenylethyl)-trimethylsilane is sourced from PubChem (CID 10544593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).