4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

C16H13N3O4S — CID 155510851

IUPAC4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)ccc2=O)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(22,23)12-7-5-11(6-8-12)19-16(21)10-9-14(18-19)13-3-1-2-4-15(13)20/h1-10,20H,(H2,17,22,23)
InChIKeyJUUOOIOGZQNKAU-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.25
Rot. Bonds3

About 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 155510851) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID155510851
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)ccc2=O)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(22,23)12-7-5-11(6-8-12)19-16(21)10-9-14(18-19)13-3-1-2-4-15(13)20/h1-10,20H,(H2,17,22,23)
InChIKeyJUUOOIOGZQNKAU-UHFFFAOYSA-N
XLogP1.25
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-(2-Hydroxyphenyl)-3-phenyl-4, 5-dihydro pyrazole) benzene sulfonamide (4a)
CID 121225781
4-[3-(4-Ethoxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 127024855
4-[6-Oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]benzenesulfonamide
CID 127025481
N-(2-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 135470730
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341
4-(5-(2-Hydroxyphenyl)-3-(4-fluorinated phenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4x)
CID 118796678
6-(2-Hydroxy-5-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one
CID 136233491
6-(4-Hydroxy-3-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one
CID 136233492
4-[5-(4-Hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 163201102
4-[3-[(E)-2-(2-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]benzenesulfonamide
CID 171355491
4-[(4E)-4-(4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
CID 135628141
4-[(3S)-5-(3-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71577323

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 155510851) is 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)ccc2=O)cc1.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is JUUOOIOGZQNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-24(22,23)12-7-5-11(6-8-12)19-16(21)10-9-14(18-19)13-3-1-2-4-15(13)20/h1-10,20H,(H2,17,22,23).
What are the key properties of 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 155510851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).