N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide

C21H19ClN6O3S2 — CID 25043254

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 25043254) has the molecular formula C21H19ClN6O3S2 and a molecular weight of 503.01 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide
• PubChem CID: 25043254
• Molecular Formula: C21H19ClN6O3S2
• Molecular Weight: 503.01 g/mol
• Exact Mass: 502.06
• IUPAC Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide
• SMILES: CC(C)c1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1
• InChI: InChI=1S/C21H19ClN6O3S2/c1-13(2)17-8-3-14(11-23)21(25-17)32-12-20(29)24-15-4-6-16(7-5-15)33(30,31)28-19-10-9-18(22)26-27-19/h3-10,13H,12H2,1-2H3,(H,24,29)(H,27,28)
• InChIKey: WSCIRYIJNIIMQT-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 137.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.01
LogP ≤ 5	4.05
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]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide?

The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide (CID 25043254) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide?

The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide is CC(C)c1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1.

What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide?

The InChIKey is WSCIRYIJNIIMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O3S2/c1-13(2)17-8-3-14(11-23)21(25-17)32-12-20(29)24-15-4-6-16(7-5-15)33(30,31)28-19-10-9-18(22)26-27-19/h3-10,13H,12H2,1-2H3,(H,24,29)(H,27,28).

What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide?

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 503.01 g/mol, XLogP of 4.05, 8 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]-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 25043254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).