N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

C23H20N4O3S — CID 25436790

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C23H20N4O3S/c1-26(20-10-4-2-5-11-20)31(29,30)22-14-8-9-19(15-22)25-23(28)18-16-24-27(17-18)21-12-6-3-7-13-21/h2-17H,1H3,(H,25,28)
InChIKeyQPQILHDDLLHCNZ-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 25436790) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID25436790
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C23H20N4O3S/c1-26(20-10-4-2-5-11-20)31(29,30)22-14-8-9-19(15-22)25-23(28)18-16-24-27(17-18)21-12-6-3-7-13-21/h2-17H,1H3,(H,25,28)
InChIKeyQPQILHDDLLHCNZ-UHFFFAOYSA-N
XLogP3.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide 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-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 25436790) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QPQILHDDLLHCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-26(20-10-4-2-5-11-20)31(29,30)22-14-8-9-19(15-22)25-23(28)18-16-24-27(17-18)21-12-6-3-7-13-21/h2-17H,1H3,(H,25,28).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25436790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).