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

C23H20N6O5S — CID 122305682

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122305682) has the molecular formula C23H20N6O5S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• PubChem CID: 122305682
• Molecular Formula: C23H20N6O5S
• Molecular Weight: 492.52 g/mol
• Exact Mass: 492.12
• IUPAC Name: N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
• SMILES: Cc1cc(C)n(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc5oc(=O)n(C)c5c4)cc3)nn2)n1
• InChI: InChI=1S/C23H20N6O5S/c1-14-12-15(2)29(26-14)21-10-11-22(25-24-21)33-17-6-4-16(5-7-17)27-35(31,32)18-8-9-20-19(13-18)28(3)23(30)34-20/h4-13,27H,1-3H3
• InChIKey: FVRZTEAZVXRUSE-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 134.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.52
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122305682) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

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

The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cc1cc(C)n(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc5oc(=O)n(C)c5c4)cc3)nn2)n1.

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

The InChIKey is FVRZTEAZVXRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O5S/c1-14-12-15(2)29(26-14)21-10-11-22(25-24-21)33-17-6-4-16(5-7-17)27-35(31,32)18-8-9-20-19(13-18)28(3)23(30)34-20/h4-13,27H,1-3H3.

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 492.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122305682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).