4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide

C15H13N3O4S — CID 11566144

IUPAC4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)nn1
InChIInChI=1S/C15H13N3O4S/c1-21-15-9-8-14(16-17-15)18-23(19,20)12-6-4-11(5-7-12)13-3-2-10-22-13/h2-10H,1H3,(H,16,18)
InChIKeyXFZMJCZAQJVCCR-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.55
Rot. Bonds5

About 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide

4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide (PubChem CID 11566144) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
PubChem CID11566144
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)nn1
InChIInChI=1S/C15H13N3O4S/c1-21-15-9-8-14(16-17-15)18-23(19,20)12-6-4-11(5-7-12)13-3-2-10-22-13/h2-10H,1H3,(H,16,18)
InChIKeyXFZMJCZAQJVCCR-UHFFFAOYSA-N
XLogP2.55
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide (CID 11566144) is 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)nn1.
What is the InChIKey of 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide?
The InChIKey is XFZMJCZAQJVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-21-15-9-8-14(16-17-15)18-23(19,20)12-6-4-11(5-7-12)13-3-2-10-22-13/h2-10H,1H3,(H,16,18).
What are the key properties of 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide?
4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 11566144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).