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

C18H20N6O4S — CID 90538681

IUPAC4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C18H20N6O4S/c1-22(2)29(27,28)15-6-4-14(5-7-15)18(26)19-11-13-24-17(25)9-8-16(21-24)23-12-3-10-20-23/h3-10,12H,11,13H2,1-2H3,(H,19,26)
InChIKeyYWTLZXIIKXFRIO-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.11
Rot. Bonds7

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

4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 90538681) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID90538681
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C18H20N6O4S/c1-22(2)29(27,28)15-6-4-14(5-7-15)18(26)19-11-13-24-17(25)9-8-16(21-24)23-12-3-10-20-23/h3-10,12H,11,13H2,1-2H3,(H,19,26)
InChIKeyYWTLZXIIKXFRIO-UHFFFAOYSA-N
XLogP0.11
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538679
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
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
CID 90538846
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
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
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide (CID 90538681) is 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is YWTLZXIIKXFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-22(2)29(27,28)15-6-4-14(5-7-15)18(26)19-11-13-24-17(25)9-8-16(21-24)23-12-3-10-20-23/h3-10,12H,11,13H2,1-2H3,(H,19,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90538681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).