4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

C16H14FN3O4S — CID 18588396

IUPAC4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O4S/c17-12-3-5-13(6-4-12)25(21,22)18-9-11-24-16-8-7-14(19-20-16)15-2-1-10-23-15/h1-8,10,18H,9,11H2
InChIKeyAXBVHHMMDJKMHJ-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.23
Rot. Bonds7

About 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 18588396) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID18588396
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O4S/c17-12-3-5-13(6-4-12)25(21,22)18-9-11-24-16-8-7-14(19-20-16)15-2-1-10-23-15/h1-8,10,18H,9,11H2
InChIKeyAXBVHHMMDJKMHJ-UHFFFAOYSA-N
XLogP2.23
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 18588396) is 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is AXBVHHMMDJKMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c17-12-3-5-13(6-4-12)25(21,22)18-9-11-24-16-8-7-14(19-20-16)15-2-1-10-23-15/h1-8,10,18H,9,11H2.
What are the key properties of 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 363.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 18588396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).