N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H19N5O5S — CID 126940457

About N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 126940457) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
• PubChem CID: 126940457
• Molecular Formula: C19H19N5O5S
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.11
• IUPAC Name: N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
• SMILES: O=c1ccc(-n2cccn2)nn1C1COCC1NS(=O)(=O)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C19H19N5O5S/c25-19-5-4-18(23-8-1-7-20-23)21-24(19)16-12-28-11-15(16)22-30(26,27)14-2-3-17-13(10-14)6-9-29-17/h1-5,7-8,10,15-16,22H,6,9,11-12H2
• InChIKey: QXBDFBCDWQUPGH-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 117.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

The IUPAC name of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 126940457) is N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

What is the SMILES notation for N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

The canonical SMILES for N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=c1ccc(-n2cccn2)nn1C1COCC1NS(=O)(=O)c1ccc2c(c1)CCO2.

What is the InChIKey of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

The InChIKey is QXBDFBCDWQUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c25-19-5-4-18(23-8-1-7-20-23)21-24(19)16-12-28-11-15(16)22-30(26,27)14-2-3-17-13(10-14)6-9-29-17/h1-5,7-8,10,15-16,22H,6,9,11-12H2.

What are the key properties of N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?

N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 429.46 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 126940457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).