N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C25H24N4O4S — CID 2359681

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1
InChIInChI=1S/C25H24N4O4S/c1-17-12-14-20(15-13-17)27-34(32,33)22-11-7-8-19(16-22)24(30)26-23-18(2)28(3)29(25(23)31)21-9-5-4-6-10-21/h4-16,27H,1-3H3,(H,26,30)
InChIKeyZTJLCJAXXMPYBG-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.85
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 2359681) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID2359681
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1
InChIInChI=1S/C25H24N4O4S/c1-17-12-14-20(15-13-17)27-34(32,33)22-11-7-8-19(16-22)24(30)26-23-18(2)28(3)29(25(23)31)21-9-5-4-6-10-21/h4-16,27H,1-3H3,(H,26,30)
InChIKeyZTJLCJAXXMPYBG-UHFFFAOYSA-N
XLogP3.85
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide 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 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 2359681) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is ZTJLCJAXXMPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-12-14-20(15-13-17)27-34(32,33)22-11-7-8-19(16-22)24(30)26-23-18(2)28(3)29(25(23)31)21-9-5-4-6-10-21/h4-16,27H,1-3H3,(H,26,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 476.56 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2359681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).