N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

C22H19N5O3S — CID 90645137

IUPACN-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3S/c1-15-7-9-17(10-8-15)24-22(28)20-25-21(16-5-3-2-4-6-16)27(26-20)18-11-13-19(14-12-18)31(23,29)30/h2-14H,1H3,(H,24,28)(H2,23,29,30)
InChIKeyZJZXSQPHUQUHIV-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.14
Rot. Bonds5

About N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 90645137) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID90645137
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3S/c1-15-7-9-17(10-8-15)24-22(28)20-25-21(16-5-3-2-4-6-16)27(26-20)18-11-13-19(14-12-18)31(23,29)30/h2-14H,1H3,(H,24,28)(H2,23,29,30)
InChIKeyZJZXSQPHUQUHIV-UHFFFAOYSA-N
XLogP3.14
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-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-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 90645137) is N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZJZXSQPHUQUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-15-7-9-17(10-8-15)24-22(28)20-25-21(16-5-3-2-4-6-16)27(26-20)18-11-13-19(14-12-18)31(23,29)30/h2-14H,1H3,(H,24,28)(H2,23,29,30).
What are the key properties of N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90645137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).