2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide

C16H14FN3O4S — CID 16905589

IUPAC2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H14FN3O4S/c17-12-4-1-2-6-15(12)25(22,23)18-9-10-20-16(21)8-7-13(19-20)14-5-3-11-24-14/h1-8,11,18H,9-10H2
InChIKeyRQCWMSSTLKPZEG-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.62
Rot. Bonds6

About 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide

2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 16905589) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
PubChem CID16905589
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H14FN3O4S/c17-12-4-1-2-6-15(12)25(22,23)18-9-10-20-16(21)8-7-13(19-20)14-5-3-11-24-14/h1-8,11,18H,9-10H2
InChIKeyRQCWMSSTLKPZEG-UHFFFAOYSA-N
XLogP1.62
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide (CID 16905589) is 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide is O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RQCWMSSTLKPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c17-12-4-1-2-6-15(12)25(22,23)18-9-10-20-16(21)8-7-13(19-20)14-5-3-11-24-14/h1-8,11,18H,9-10H2.
What are the key properties of 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide?
2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 363.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 16905589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).