4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide

C21H24N4O3S — CID 35441791

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2CC(C)C)cc1
InChIInChI=1S/C21H24N4O3S/c1-15(2)14-25-20(12-13-22-25)23-21(26)17-8-10-18(11-9-17)29(27,28)24-19-7-5-4-6-16(19)3/h4-13,15,24H,14H2,1-3H3,(H,23,26)
InChIKeyUMDABHJRTZAKTR-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.90
Rot. Bonds7

About 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide

4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide (PubChem CID 35441791) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
PubChem CID35441791
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2CC(C)C)cc1
InChIInChI=1S/C21H24N4O3S/c1-15(2)14-25-20(12-13-22-25)23-21(26)17-8-10-18(11-9-17)29(27,28)24-19-7-5-4-6-16(19)3/h4-13,15,24H,14H2,1-3H3,(H,23,26)
InChIKeyUMDABHJRTZAKTR-UHFFFAOYSA-N
XLogP3.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide 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-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
4-[(2-methylphenyl)sulfamoyl]-N-(2-piperidin-1-yl-3-pyridinyl)benzamide
CID 55981480
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290
4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186458
2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9305972
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
4-[(2-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536361

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide (CID 35441791) is 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccnn2CC(C)C)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The InChIKey is UMDABHJRTZAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15(2)14-25-20(12-13-22-25)23-21(26)17-8-10-18(11-9-17)29(27,28)24-19-7-5-4-6-16(19)3/h4-13,15,24H,14H2,1-3H3,(H,23,26).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 35441791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).