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

C22H19N5O3S — CID 90645136

IUPACN-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(17-9-5-2-6-10-17)25-20(26-27)22(28)24-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)(H2,23,29,30)
InChIKeyVPQXDAWTQZSNTK-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.51
Rot. Bonds6

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

N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 90645136) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID90645136
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(17-9-5-2-6-10-17)25-20(26-27)22(28)24-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)(H2,23,29,30)
InChIKeyVPQXDAWTQZSNTK-UHFFFAOYSA-N
XLogP2.51
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 90645136) is N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VPQXDAWTQZSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(17-9-5-2-6-10-17)25-20(26-27)22(28)24-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)(H2,23,29,30).
What are the key properties of N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90645136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).