4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide

C22H17N3O3S — CID 54612981

IUPAC4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)ccc2=O)cc1
InChIInChI=1S/C22H17N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H2,23,27,28)
InChIKeyRBVXYPBWSOCRQE-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.21
Rot. Bonds4

About 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide

4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide (PubChem CID 54612981) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
PubChem CID54612981
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)ccc2=O)cc1
InChIInChI=1S/C22H17N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H2,23,27,28)
InChIKeyRBVXYPBWSOCRQE-UHFFFAOYSA-N
XLogP3.21
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide (CID 54612981) is 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide?
The InChIKey is RBVXYPBWSOCRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H2,23,27,28).
What are the key properties of 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide?
4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 54612981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).