3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane

C15H22N2O2SSi — CID 161411517

IUPAC3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane
SMILESCCC[SiH2]CCCS(=O)(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H22N2O2SSi/c1-2-11-21-12-3-10-20(18,19)15-6-4-14(5-7-15)17-9-8-16-13-17/h4-9,13H,2-3,10-12,21H2,1H3
InChIKeySHVNFVNAWRRPOZ-UHFFFAOYSA-N
MW322.51 g/mol
LogP2.45
Rot. Bonds8

About 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane

3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane (PubChem CID 161411517) has the molecular formula C15H22N2O2SSi and a molecular weight of 322.51 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane
PubChem CID161411517
Molecular FormulaC15H22N2O2SSi
Molecular Weight322.51 g/mol
Exact Mass322.12
IUPAC Name3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane
SMILESCCC[SiH2]CCCS(=O)(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H22N2O2SSi/c1-2-11-21-12-3-10-20(18,19)15-6-4-14(5-7-15)17-9-8-16-13-17/h4-9,13H,2-3,10-12,21H2,1H3
InChIKeySHVNFVNAWRRPOZ-UHFFFAOYSA-N
XLogP2.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane (CID 161411517) is 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane is CCC[SiH2]CCCS(=O)(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane?
The InChIKey is SHVNFVNAWRRPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2SSi/c1-2-11-21-12-3-10-20(18,19)15-6-4-14(5-7-15)17-9-8-16-13-17/h4-9,13H,2-3,10-12,21H2,1H3.
What are the key properties of 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane?
3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane has a molecular weight of 322.51 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane is sourced from PubChem (CID 161411517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).