(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide

C22H23Cl2N5O4S — CID 162727151

About (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide

(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide (PubChem CID 162727151) has the molecular formula C22H23Cl2N5O4S and a molecular weight of 524.43 g/mol. Its IUPAC name is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
• PubChem CID: 162727151
• Molecular Formula: C22H23Cl2N5O4S
• Molecular Weight: 524.43 g/mol
• Exact Mass: 523.08
• IUPAC Name: (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
• SMILES: CCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1
• InChI: InChI=1S/C22H23Cl2N5O4S/c1-3-15-7-8-17(28-21(30)14(2)29-22(31)20(24)18(23)13-26-29)12-19(15)34(32,33)27-11-9-16-6-4-5-10-25-16/h4-8,10,12-14,27H,3,9,11H2,1-2H3,(H,28,30)/t14-/m0/s1
• InChIKey: GKPMFCVIRNSXEW-AWEZNQCLSA-N
• XLogP: 3.23
• TPSA: 123.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.43
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?

The IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide (CID 162727151) is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide.

What is the SMILES notation for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?

The canonical SMILES for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide is CCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1.

What is the InChIKey of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?

The InChIKey is GKPMFCVIRNSXEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23Cl2N5O4S/c1-3-15-7-8-17(28-21(30)14(2)29-22(31)20(24)18(23)13-26-29)12-19(15)34(32,33)27-11-9-16-6-4-5-10-25-16/h4-8,10,12-14,27H,3,9,11H2,1-2H3,(H,28,30)/t14-/m0/s1.

What are the key properties of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?

(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide has a molecular weight of 524.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 162727151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).