2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide

C17H18INO2SSi — CID 132938115

IUPAC2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
SMILESC[Si](C)(C)C#CN(c1ccccc1)S(=O)(=O)c1ccccc1I
InChIInChI=1S/C17H18INO2SSi/c1-23(2,3)14-13-19(15-9-5-4-6-10-15)22(20,21)17-12-8-7-11-16(17)18/h4-12H,1-3H3
InChIKeyIEAAGMVXFMCZEP-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.32
Rot. Bonds3

About 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide

2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide (PubChem CID 132938115) has the molecular formula C17H18INO2SSi and a molecular weight of 455.39 g/mol. Its IUPAC name is 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide.

Molecular Properties

Compound Name2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
PubChem CID132938115
Molecular FormulaC17H18INO2SSi
Molecular Weight455.39 g/mol
Exact Mass454.99
IUPAC Name2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
SMILESC[Si](C)(C)C#CN(c1ccccc1)S(=O)(=O)c1ccccc1I
InChIInChI=1S/C17H18INO2SSi/c1-23(2,3)14-13-19(15-9-5-4-6-10-15)22(20,21)17-12-8-7-11-16(17)18/h4-12H,1-3H3
InChIKeyIEAAGMVXFMCZEP-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The IUPAC name of 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide (CID 132938115) is 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide.
What is the SMILES notation for 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The canonical SMILES for 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide is C[Si](C)(C)C#CN(c1ccccc1)S(=O)(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The InChIKey is IEAAGMVXFMCZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2SSi/c1-23(2,3)14-13-19(15-9-5-4-6-10-15)22(20,21)17-12-8-7-11-16(17)18/h4-12H,1-3H3.
What are the key properties of 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide has a molecular weight of 455.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide is sourced from PubChem (CID 132938115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).