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

C18H18N4O4S — CID 3960198

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C18H18N4O4S/c1-22(14-7-3-2-4-8-14)27(25,26)15-9-5-6-13(12-15)19-18(24)16-10-11-17(23)21-20-16/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,23)
InChIKeyXZALECBHMXUQRM-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.72
Rot. Bonds5

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

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3960198) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3960198
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C18H18N4O4S/c1-22(14-7-3-2-4-8-14)27(25,26)15-9-5-6-13(12-15)19-18(24)16-10-11-17(23)21-20-16/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,23)
InChIKeyXZALECBHMXUQRM-UHFFFAOYSA-N
XLogP1.72
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3960198) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NNC(=O)CC2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is XZALECBHMXUQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-22(14-7-3-2-4-8-14)27(25,26)15-9-5-6-13(12-15)19-18(24)16-10-11-17(23)21-20-16/h2-9,12H,10-11H2,1H3,(H,19,24)(H,21,23).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 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-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3960198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).