4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide

C17H17N3O4S — CID 54613732

IUPAC4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1
InChIInChI=1S/C17H17N3O4S/c1-24-14-6-2-12(3-7-14)16-10-11-17(21)20(19-16)13-4-8-15(9-5-13)25(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)
InChIKeyODCSKQOYUFEELP-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.87
Rot. Bonds4

About 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide

4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide (PubChem CID 54613732) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
PubChem CID54613732
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1
InChIInChI=1S/C17H17N3O4S/c1-24-14-6-2-12(3-7-14)16-10-11-17(21)20(19-16)13-4-8-15(9-5-13)25(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)
InChIKeyODCSKQOYUFEELP-UHFFFAOYSA-N
XLogP1.87
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide (CID 54613732) is 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide is COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(=O)CC2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
The InChIKey is ODCSKQOYUFEELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-24-14-6-2-12(3-7-14)16-10-11-17(21)20(19-16)13-4-8-15(9-5-13)25(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23).
What are the key properties of 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide?
4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 54613732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).