N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C20H22N4O4S — CID 4794646

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H22N4O4S/c1-14-9-10-15(13-18(14)29(27,28)23(2)3)21-20(26)17-11-12-19(25)24(22-17)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,21,26)
InChIKeyWIHCMKOHPJEPQA-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.37
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 4794646) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID4794646
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H22N4O4S/c1-14-9-10-15(13-18(14)29(27,28)23(2)3)21-20(26)17-11-12-19(25)24(22-17)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,21,26)
InChIKeyWIHCMKOHPJEPQA-UHFFFAOYSA-N
XLogP2.37
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 4794646) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is WIHCMKOHPJEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-9-10-15(13-18(14)29(27,28)23(2)3)21-20(26)17-11-12-19(25)24(22-17)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,21,26).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 4794646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).