2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane

C22H22O2SSi — CID 166637015

IUPAC2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane
SMILESC=C(C[Si](C)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22O2SSi/c1-19(25(23,24)20-12-6-3-7-13-20)18-26(2,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1,18H2,2H3
InChIKeyWEVNTJCAEBWTSK-UHFFFAOYSA-N
MW378.57 g/mol
LogP3.87
Rot. Bonds6

About 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane

2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane (PubChem CID 166637015) has the molecular formula C22H22O2SSi and a molecular weight of 378.57 g/mol. Its IUPAC name is 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane.

Molecular Properties

Compound Name2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane
PubChem CID166637015
Molecular FormulaC22H22O2SSi
Molecular Weight378.57 g/mol
Exact Mass378.11
IUPAC Name2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane
SMILESC=C(C[Si](C)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22O2SSi/c1-19(25(23,24)20-12-6-3-7-13-20)18-26(2,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1,18H2,2H3
InChIKeyWEVNTJCAEBWTSK-UHFFFAOYSA-N
XLogP3.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane?
The IUPAC name of 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane (CID 166637015) is 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane.
What is the SMILES notation for 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane?
The canonical SMILES for 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane is C=C(C[Si](C)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane?
The InChIKey is WEVNTJCAEBWTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2SSi/c1-19(25(23,24)20-12-6-3-7-13-20)18-26(2,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1,18H2,2H3.
What are the key properties of 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane?
2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane has a molecular weight of 378.57 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)prop-2-enyl-methyl-diphenylsilane is sourced from PubChem (CID 166637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).