[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

C17H22N4O6S — CID 2125015

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2=CCC(=O)NN2)cc1
InChIInChI=1S/C17H22N4O6S/c1-3-21(4-2)28(25,26)13-7-5-12(6-8-13)18-16(23)11-27-17(24)14-9-10-15(22)20-19-14/h5-9,19H,3-4,10-11H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyOMOXUKUDATZETM-UHFFFAOYSA-N
MW410.45 g/mol
LogP0.11
Rot. Bonds8

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (PubChem CID 2125015) has the molecular formula C17H22N4O6S and a molecular weight of 410.45 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
PubChem CID2125015
Molecular FormulaC17H22N4O6S
Molecular Weight410.45 g/mol
Exact Mass410.13
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2=CCC(=O)NN2)cc1
InChIInChI=1S/C17H22N4O6S/c1-3-21(4-2)28(25,26)13-7-5-12(6-8-13)18-16(23)11-27-17(24)14-9-10-15(22)20-19-14/h5-9,19H,3-4,10-11H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyOMOXUKUDATZETM-UHFFFAOYSA-N
XLogP0.11
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2346813
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704140
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506093
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519907
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2434657
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 41091065

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (CID 2125015) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2=CCC(=O)NN2)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The InChIKey is OMOXUKUDATZETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O6S/c1-3-21(4-2)28(25,26)13-7-5-12(6-8-13)18-16(23)11-27-17(24)14-9-10-15(22)20-19-14/h5-9,19H,3-4,10-11H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is sourced from PubChem (CID 2125015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).