2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C18H15ClN4O4S — CID 121051659

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C18H15ClN4O4S/c19-13-3-1-12(2-4-13)16-9-10-18(25)23(22-16)11-17(24)21-14-5-7-15(8-6-14)28(20,26)27/h1-10H,11H2,(H,21,24)(H2,20,26,27)
InChIKeyONSVBAFVFFDINC-UHFFFAOYSA-N
MW418.86 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 121051659) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID121051659
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C18H15ClN4O4S/c19-13-3-1-12(2-4-13)16-9-10-18(25)23(22-16)11-17(24)21-14-5-7-15(8-6-14)28(20,26)27/h1-10H,11H2,(H,21,24)(H2,20,26,27)
InChIKeyONSVBAFVFFDINC-UHFFFAOYSA-N
XLogP1.85
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121051681
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 121051625
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 121051659) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is ONSVBAFVFFDINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c19-13-3-1-12(2-4-13)16-9-10-18(25)23(22-16)11-17(24)21-14-5-7-15(8-6-14)28(20,26)27/h1-10H,11H2,(H,21,24)(H2,20,26,27).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 418.86 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 121051659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).