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

C22H17N3O4S — CID 127025481

IUPAC4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)ccc2=O)cc1
InChIInChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)
InChIKeyKGZZBTVPKLHNIB-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.34
Rot. Bonds5

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

4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide (PubChem CID 127025481) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide
PubChem CID127025481
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Name4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)ccc2=O)cc1
InChIInChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)
InChIKeyKGZZBTVPKLHNIB-UHFFFAOYSA-N
XLogP3.34
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide (CID 127025481) is 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide?
The InChIKey is KGZZBTVPKLHNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28).
What are the key properties of 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide?
4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide has a molecular weight of 419.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127025481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).