[1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane

C23H31NO2SSi2 — CID 16748419

IUPAC[1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CN(S(=O)(=O)c2ccccc2)C(c2ccccc2)C([Si](C)(C)C)=C1
InChIInChI=1S/C23H31NO2SSi2/c1-28(2,3)21-17-22(29(4,5)6)23(19-13-9-7-10-14-19)24(18-21)27(25,26)20-15-11-8-12-16-20/h7-18,23H,1-6H3
InChIKeyKMAMJRVERPEGMD-UHFFFAOYSA-N
MW441.75 g/mol
LogP6.00
Rot. Bonds5

About [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane

[1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane (PubChem CID 16748419) has the molecular formula C23H31NO2SSi2 and a molecular weight of 441.75 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane
PubChem CID16748419
Molecular FormulaC23H31NO2SSi2
Molecular Weight441.75 g/mol
Exact Mass441.16
IUPAC Name[1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CN(S(=O)(=O)c2ccccc2)C(c2ccccc2)C([Si](C)(C)C)=C1
InChIInChI=1S/C23H31NO2SSi2/c1-28(2,3)21-17-22(29(4,5)6)23(19-13-9-7-10-14-19)24(18-21)27(25,26)20-15-11-8-12-16-20/h7-18,23H,1-6H3
InChIKeyKMAMJRVERPEGMD-UHFFFAOYSA-N
XLogP6.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.75
LogP ≤ 56.00
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 [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane?
The IUPAC name of [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane (CID 16748419) is [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane.
What is the SMILES notation for [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane?
The canonical SMILES for [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane is C[Si](C)(C)C1=CN(S(=O)(=O)c2ccccc2)C(c2ccccc2)C([Si](C)(C)C)=C1.
What is the InChIKey of [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane?
The InChIKey is KMAMJRVERPEGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2SSi2/c1-28(2,3)21-17-22(29(4,5)6)23(19-13-9-7-10-14-19)24(18-21)27(25,26)20-15-11-8-12-16-20/h7-18,23H,1-6H3.
What are the key properties of [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane?
[1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane has a molecular weight of 441.75 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-phenyl-3-trimethylsilyl-2H-pyridin-5-yl]-trimethylsilane is sourced from PubChem (CID 16748419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).