N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

C25H23FN6O4S — CID 121075957

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 121075957) has the molecular formula C25H23FN6O4S and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
• PubChem CID: 121075957
• Molecular Formula: C25H23FN6O4S
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.15
• IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
• SMILES: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccc(F)cc4)ccc3=O)cc2)nc(C)n1
• InChI: InChI=1S/C25H23FN6O4S/c1-15-14-23(28-17(3)27-15)31-37(35,36)21-10-8-20(9-11-21)29-25(34)16(2)32-24(33)13-12-22(30-32)18-4-6-19(26)7-5-18/h4-14,16H,1-3H3,(H,29,34)(H,27,28,31)
• InChIKey: YQFHBOLAZBYUHR-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 135.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?

The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide (CID 121075957) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide.

What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?

The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccc(F)cc4)ccc3=O)cc2)nc(C)n1.

What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?

The InChIKey is YQFHBOLAZBYUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O4S/c1-15-14-23(28-17(3)27-15)31-37(35,36)21-10-8-20(9-11-21)29-25(34)16(2)32-24(33)13-12-22(30-32)18-4-6-19(26)7-5-18/h4-14,16H,1-3H3,(H,29,34)(H,27,28,31).

What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 522.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 121075957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).