N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C20H13Cl3N6O3S — CID 19513570

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513570) has the molecular formula C20H13Cl3N6O3S and a molecular weight of 523.79 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
• PubChem CID: 19513570
• Molecular Formula: C20H13Cl3N6O3S
• Molecular Weight: 523.79 g/mol
• Exact Mass: 521.98
• IUPAC Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
• InChI: InChI=1S/C20H13Cl3N6O3S/c21-14-6-1-11(9-15(14)22)16-10-17(26-25-16)20(30)24-12-2-4-13(5-3-12)33(31,32)29-19-8-7-18(23)27-28-19/h1-10H,(H,24,30)(H,25,26)(H,28,29)
• InChIKey: OVSMJGBNMCGPLU-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 129.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.79
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19513570) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.

What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?

The InChIKey is OVSMJGBNMCGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N6O3S/c21-14-6-1-11(9-15(14)22)16-10-17(26-25-16)20(30)24-12-2-4-13(5-3-12)33(31,32)29-19-8-7-18(23)27-28-19/h1-10H,(H,24,30)(H,25,26)(H,28,29).

What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 523.79 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).