N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H22N6O3S — CID 136759077

IUPACN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3[nH]nc4c3c(C)nn4C)ccc2C)cc1
InChIInChI=1S/C21H22N6O3S/c1-12-5-9-16(10-6-12)26-31(29,30)17-11-15(8-7-13(17)2)21(28)22-19-18-14(3)25-27(4)20(18)24-23-19/h5-11,26H,1-4H3,(H2,22,23,24,28)
InChIKeyQNACPJJBORTWPK-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.27
Rot. Bonds5

About N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 136759077) has the molecular formula C21H22N6O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID136759077
Molecular FormulaC21H22N6O3S
Molecular Weight438.51 g/mol
Exact Mass438.15
IUPAC NameN-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3[nH]nc4c3c(C)nn4C)ccc2C)cc1
InChIInChI=1S/C21H22N6O3S/c1-12-5-9-16(10-6-12)26-31(29,30)17-11-15(8-7-13(17)2)21(28)22-19-18-14(3)25-27(4)20(18)24-23-19/h5-11,26H,1-4H3,(H2,22,23,24,28)
InChIKeyQNACPJJBORTWPK-UHFFFAOYSA-N
XLogP3.27
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide with MolForge

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Related Compounds

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134025456
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4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
tert-butyl 3-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
CID 146147712
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2229395
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2240078
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 136759077) is N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3[nH]nc4c3c(C)nn4C)ccc2C)cc1.
What is the InChIKey of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QNACPJJBORTWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S/c1-12-5-9-16(10-6-12)26-31(29,30)17-11-15(8-7-13(17)2)21(28)22-19-18-14(3)25-27(4)20(18)24-23-19/h5-11,26H,1-4H3,(H2,22,23,24,28).
What are the key properties of N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 136759077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).