N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide

C21H20N6O4S — CID 25041756

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Nc3nnc(C)c4ccccc34)cc2)nc(OC)n1
InChIInChI=1S/C21H20N6O4S/c1-13-16-6-4-5-7-17(16)20(26-25-13)22-14-8-10-15(11-9-14)32(28,29)27-18-12-19(30-2)24-21(23-18)31-3/h4-12H,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyKAAXLASUZWKZAU-UHFFFAOYSA-N
MW452.50 g/mol
LogP3.29
Rot. Bonds7

About N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide

N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide (PubChem CID 25041756) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
PubChem CID25041756
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Nc3nnc(C)c4ccccc34)cc2)nc(OC)n1
InChIInChI=1S/C21H20N6O4S/c1-13-16-6-4-5-7-17(16)20(26-25-13)22-14-8-10-15(11-9-14)32(28,29)27-18-12-19(30-2)24-21(23-18)31-3/h4-12H,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyKAAXLASUZWKZAU-UHFFFAOYSA-N
XLogP3.29
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]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

N-(2,6-dimethoxypyrimidin-4-yl)-4-[(3-methyl-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide
CID 58398247
N-(2,6-dimethoxypyrimidin-4-yl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22203987
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22203968
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 4513589
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 2206595
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide bromide
CID 53347266
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
CID 118386705
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide (CID 25041756) is N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Nc3nnc(C)c4ccccc34)cc2)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
The InChIKey is KAAXLASUZWKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-13-16-6-4-5-7-17(16)20(26-25-13)22-14-8-10-15(11-9-14)32(28,29)27-18-12-19(30-2)24-21(23-18)31-3/h4-12H,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide has a molecular weight of 452.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 25041756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).