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

C21H24N4O4S — CID 5135964

IUPACN-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-3-24(4-2)30(28,29)18-12-10-16(11-13-18)22-21(27)19-14-15-20(26)25(23-19)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)
InChIKeyROCXSDDZZLZUDI-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.84
Rot. Bonds7

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

N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 5135964) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID5135964
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C21H24N4O4S/c1-3-24(4-2)30(28,29)18-12-10-16(11-13-18)22-21(27)19-14-15-20(26)25(23-19)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)
InChIKeyROCXSDDZZLZUDI-UHFFFAOYSA-N
XLogP2.84
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31289877
N-(4-acetylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 5124890
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 52583608
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 24599427
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 5135964) is N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ROCXSDDZZLZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-3-24(4-2)30(28,29)18-12-10-16(11-13-18)22-21(27)19-14-15-20(26)25(23-19)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,27).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 5135964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).