N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H17N3O6S — CID 16905583

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 16905583) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 16905583
• Molecular Formula: C18H17N3O6S
• Molecular Weight: 403.42 g/mol
• Exact Mass: 403.08
• IUPAC Name: N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H17N3O6S/c22-18-6-4-14(15-2-1-9-25-15)20-21(18)8-7-19-28(23,24)13-3-5-16-17(12-13)27-11-10-26-16/h1-6,9,12,19H,7-8,10-11H2
• InChIKey: LZZTVQPQUOMMMU-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 112.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.42
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 16905583) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The InChIKey is LZZTVQPQUOMMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c22-18-6-4-14(15-2-1-9-25-15)20-21(18)8-7-19-28(23,24)13-3-5-16-17(12-13)27-11-10-26-16/h1-6,9,12,19H,7-8,10-11H2.

What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 403.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 16905583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).