N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C20H18ClF3N6O3S — CID 19534991

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534991) has the molecular formula C20H18ClF3N6O3S and a molecular weight of 514.92 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• PubChem CID: 19534991
• Molecular Formula: C20H18ClF3N6O3S
• Molecular Weight: 514.92 g/mol
• Exact Mass: 514.08
• IUPAC Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)n1nc(C(F)(F)F)cc1C1CC1
• InChI: InChI=1S/C20H18ClF3N6O3S/c1-11(30-15(12-2-3-12)10-16(28-30)20(22,23)24)19(31)25-13-4-6-14(7-5-13)34(32,33)29-18-9-8-17(21)26-27-18/h4-12H,2-3H2,1H3,(H,25,31)(H,27,29)
• InChIKey: AFOVVACNVUPXIB-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 118.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.92
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534991) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)n1nc(C(F)(F)F)cc1C1CC1.

What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The InChIKey is AFOVVACNVUPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6O3S/c1-11(30-15(12-2-3-12)10-16(28-30)20(22,23)24)19(31)25-13-4-6-14(7-5-13)34(32,33)29-18-9-8-17(21)26-27-18/h4-12H,2-3H2,1H3,(H,25,31)(H,27,29).

What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 514.92 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).