4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

C16H12IN3O3S — CID 127027656

IUPAC4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)ccc2=O)cc1
InChIInChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
InChIKeyNTTWKWJVMNAIGH-UHFFFAOYSA-N
MW453.26 g/mol
LogP2.15
Rot. Bonds3

About 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 127027656) has the molecular formula C16H12IN3O3S and a molecular weight of 453.26 g/mol. Its IUPAC name is 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID127027656
Molecular FormulaC16H12IN3O3S
Molecular Weight453.26 g/mol
Exact Mass452.96
IUPAC Name4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)ccc2=O)cc1
InChIInChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
InChIKeyNTTWKWJVMNAIGH-UHFFFAOYSA-N
XLogP2.15
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 127027656) is 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(I)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is NTTWKWJVMNAIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23).
What are the key properties of 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 453.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127027656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).