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

C25H24N4O6S — CID 4615749

IUPACN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2OC)cc1
InChIInChI=1S/C25H24N4O6S/c1-34-20-11-8-17(9-12-20)28-36(32,33)23-16-18(10-14-22(23)35-2)26-25(31)21-13-15-24(30)29(27-21)19-6-4-3-5-7-19/h3-12,14,16,28H,13,15H2,1-2H3,(H,26,31)
InChIKeyUYTDUPDQNRGQIY-UHFFFAOYSA-N
MW508.56 g/mol
LogP3.63
Rot. Bonds8

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

N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 4615749) has the molecular formula C25H24N4O6S and a molecular weight of 508.56 g/mol. Its IUPAC name is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID4615749
Molecular FormulaC25H24N4O6S
Molecular Weight508.56 g/mol
Exact Mass508.14
IUPAC NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2OC)cc1
InChIInChI=1S/C25H24N4O6S/c1-34-20-11-8-17(9-12-20)28-36(32,33)23-16-18(10-14-22(23)35-2)26-25(31)21-13-15-24(30)29(27-21)19-6-4-3-5-7-19/h3-12,14,16,28H,13,15H2,1-2H3,(H,26,31)
InChIKeyUYTDUPDQNRGQIY-UHFFFAOYSA-N
XLogP3.63
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 4615749) is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is UYTDUPDQNRGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6S/c1-34-20-11-8-17(9-12-20)28-36(32,33)23-16-18(10-14-22(23)35-2)26-25(31)21-13-15-24(30)29(27-21)19-6-4-3-5-7-19/h3-12,14,16,28H,13,15H2,1-2H3,(H,26,31).
What are the key properties of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 508.56 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 4615749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).