3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

C24H24N6O3S — CID 122292389

IUPAC3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c1
InChIInChI=1S/C24H24N6O3S/c1-15-16(2)28-30(17(15)3)24-13-12-23(26-27-24)25-20-8-10-21(11-9-20)29-34(32,33)22-7-5-6-19(14-22)18(4)31/h5-14,29H,1-4H3,(H,25,26)
InChIKeyNTQWNJGCIRJPIB-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.33
Rot. Bonds7

About 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 122292389) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID122292389
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c1
InChIInChI=1S/C24H24N6O3S/c1-15-16(2)28-30(17(15)3)24-13-12-23(26-27-24)25-20-8-10-21(11-9-20)29-34(32,33)22-7-5-6-19(14-22)18(4)31/h5-14,29H,1-4H3,(H,25,26)
InChIKeyNTQWNJGCIRJPIB-UHFFFAOYSA-N
XLogP4.33
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-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

Related Compounds

2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
CID 122292415
2,6-difluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292392
4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292428
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292393
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122292418
3-acetyl-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122291716
N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide
CID 70703876
3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305886
1-(4-ethylphenyl)-3-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 56919860
5-[[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]-2-methoxybenzamide
CID 122292633
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 122292389) is 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c1.
What is the InChIKey of 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is NTQWNJGCIRJPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-15-16(2)28-30(17(15)3)24-13-12-23(26-27-24)25-20-8-10-21(11-9-20)29-34(32,33)22-7-5-6-19(14-22)18(4)31/h5-14,29H,1-4H3,(H,25,26).
What are the key properties of 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122292389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).