N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide

C16H16Br2N2O2SSi — CID 135072469

IUPACN-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
SMILESC[Si](C)(C)C#CN(c1ccc(Br)nc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16Br2N2O2SSi/c1-24(2,3)12-11-20(14-9-10-15(17)19-16(14)18)23(21,22)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyMZTMZMQIQJHBJA-UHFFFAOYSA-N
MW488.28 g/mol
LogP4.64
Rot. Bonds3

About N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide

N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide (PubChem CID 135072469) has the molecular formula C16H16Br2N2O2SSi and a molecular weight of 488.28 g/mol. Its IUPAC name is N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
PubChem CID135072469
Molecular FormulaC16H16Br2N2O2SSi
Molecular Weight488.28 g/mol
Exact Mass485.91
IUPAC NameN-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
SMILESC[Si](C)(C)C#CN(c1ccc(Br)nc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16Br2N2O2SSi/c1-24(2,3)12-11-20(14-9-10-15(17)19-16(14)18)23(21,22)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyMZTMZMQIQJHBJA-UHFFFAOYSA-N
XLogP4.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The IUPAC name of N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide (CID 135072469) is N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide.
What is the SMILES notation for N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The canonical SMILES for N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide is C[Si](C)(C)C#CN(c1ccc(Br)nc1Br)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The InChIKey is MZTMZMQIQJHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O2SSi/c1-24(2,3)12-11-20(14-9-10-15(17)19-16(14)18)23(21,22)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide?
N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide has a molecular weight of 488.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide is sourced from PubChem (CID 135072469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).