N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

C23H19ClN4O6S — CID 19451127

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19451127) has the molecular formula C23H19ClN4O6S and a molecular weight of 514.95 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19451127
• Molecular Formula: C23H19ClN4O6S
• Molecular Weight: 514.95 g/mol
• Exact Mass: 514.07
• IUPAC Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
• SMILES: COc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)o2)cc1
• InChI: InChI=1S/C23H19ClN4O6S/c1-32-16-4-6-17(7-5-16)33-14-18-8-11-20(34-18)23(29)25-15-2-9-19(10-3-15)35(30,31)28-22-13-12-21(24)26-27-22/h2-13H,14H2,1H3,(H,25,29)(H,27,28)
• InChIKey: GWOUQLRPKGSGEM-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 132.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.95
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19451127) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)nn4)cc3)o2)cc1.

What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?

The InChIKey is GWOUQLRPKGSGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O6S/c1-32-16-4-6-17(7-5-16)33-14-18-8-11-20(34-18)23(29)25-15-2-9-19(10-3-15)35(30,31)28-22-13-12-21(24)26-27-22/h2-13H,14H2,1H3,(H,25,29)(H,27,28).

What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 514.95 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19451127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).