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

C24H22N4O4S — CID 3301554

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C24H22N4O4S/c1-27(19-10-4-2-5-11-19)33(31,32)21-14-8-9-18(17-21)25-24(30)22-15-16-23(29)28(26-22)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,25,30)
InChIKeyCRVBUSCCJSSARS-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.63
Rot. Bonds6

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

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3301554) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID3301554
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C24H22N4O4S/c1-27(19-10-4-2-5-11-19)33(31,32)21-14-8-9-18(17-21)25-24(30)22-15-16-23(29)28(26-22)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,25,30)
InChIKeyCRVBUSCCJSSARS-UHFFFAOYSA-N
XLogP3.63
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 3301554) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CRVBUSCCJSSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-27(19-10-4-2-5-11-19)33(31,32)21-14-8-9-18(17-21)25-24(30)22-15-16-23(29)28(26-22)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,25,30).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3301554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).