4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide

C20H24N6O4S — CID 90538679

IUPAC4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C20H24N6O4S/c1-3-24(4-2)31(29,30)17-8-6-16(7-9-17)20(28)21-13-15-26-19(27)11-10-18(23-26)25-14-5-12-22-25/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,28)
InChIKeyULNPEWDEDXXDNV-UHFFFAOYSA-N
MW444.52 g/mol
LogP0.89
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 90538679) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID90538679
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C20H24N6O4S/c1-3-24(4-2)31(29,30)17-8-6-16(7-9-17)20(28)21-13-15-26-19(27)11-10-18(23-26)25-14-5-12-22-25/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,28)
InChIKeyULNPEWDEDXXDNV-UHFFFAOYSA-N
XLogP0.89
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538681
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90538675
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
CID 90539197
4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539160
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71790801
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 90541993
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90538867
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 25470960

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide (CID 90538679) is 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is ULNPEWDEDXXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-3-24(4-2)31(29,30)17-8-6-16(7-9-17)20(28)21-13-15-26-19(27)11-10-18(23-26)25-14-5-12-22-25/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,28).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 444.52 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90538679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).