4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

C21H20N6O3S — CID 16839241

IUPAC4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1
InChIInChI=1S/C21H20N6O3S/c1-2-30-18-8-10-19(11-9-18)31(28,29)26-17-6-4-16(5-7-17)23-20-12-13-21(25-24-20)27-15-3-14-22-27/h3-15,26H,2H2,1H3,(H,23,24)
InChIKeyNDBPPFKWOGFHEK-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.61
Rot. Bonds8

About 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide

4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (PubChem CID 16839241) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
PubChem CID16839241
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1
InChIInChI=1S/C21H20N6O3S/c1-2-30-18-8-10-19(11-9-18)31(28,29)26-17-6-4-16(5-7-17)23-20-12-13-21(25-24-20)27-15-3-14-22-27/h3-15,26H,2H2,1H3,(H,23,24)
InChIKeyNDBPPFKWOGFHEK-UHFFFAOYSA-N
XLogP3.61
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]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 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide (CID 16839241) is 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is NDBPPFKWOGFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-2-30-18-8-10-19(11-9-18)31(28,29)26-17-6-4-16(5-7-17)23-20-12-13-21(25-24-20)27-15-3-14-22-27/h3-15,26H,2H2,1H3,(H,23,24).
What are the key properties of 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 436.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 16839241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).