3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide

C22H18N6O5S — CID 122305304

About 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide

3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122305304) has the molecular formula C22H18N6O5S and a molecular weight of 478.49 g/mol. Its IUPAC name is 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
• PubChem CID: 122305304
• Molecular Formula: C22H18N6O5S
• Molecular Weight: 478.49 g/mol
• Exact Mass: 478.11
• IUPAC Name: 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
• SMILES: Cc1ccn(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc5oc(=O)n(C)c5c4)cc3)nn2)n1
• InChI: InChI=1S/C22H18N6O5S/c1-14-11-12-28(25-14)20-9-10-21(24-23-20)32-16-5-3-15(4-6-16)26-34(30,31)17-7-8-19-18(13-17)27(2)22(29)33-19/h3-13,26H,1-2H3
• InChIKey: ZFIULUVGFBPBTJ-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 134.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.49
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

The IUPAC name of 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122305304) is 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide.

What is the SMILES notation for 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

The canonical SMILES for 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide is Cc1ccn(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc5oc(=O)n(C)c5c4)cc3)nn2)n1.

What is the InChIKey of 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

The InChIKey is ZFIULUVGFBPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O5S/c1-14-11-12-28(25-14)20-9-10-21(24-23-20)32-16-5-3-15(4-6-16)26-34(30,31)17-7-8-19-18(13-17)27(2)22(29)33-19/h3-13,26H,1-2H3.

What are the key properties of 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide?

3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 478.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122305304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).