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

C15H13N5O3S — CID 90682064

IUPAC5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13N5O3S/c16-13(21)14-18-15(10-4-2-1-3-5-10)20(19-14)11-6-8-12(9-7-11)24(17,22)23/h1-9H,(H2,16,21)(H2,17,22,23)
InChIKeySJDYLZYDGLRUNT-UHFFFAOYSA-N
MW343.37 g/mol
LogP0.68
Rot. Bonds4

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

5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 90682064) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID90682064
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Name5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13N5O3S/c16-13(21)14-18-15(10-4-2-1-3-5-10)20(19-14)11-6-8-12(9-7-11)24(17,22)23/h1-9H,(H2,16,21)(H2,17,22,23)
InChIKeySJDYLZYDGLRUNT-UHFFFAOYSA-N
XLogP0.68
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 90682064) is 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SJDYLZYDGLRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c16-13(21)14-18-15(10-4-2-1-3-5-10)20(19-14)11-6-8-12(9-7-11)24(17,22)23/h1-9H,(H2,16,21)(H2,17,22,23).
What are the key properties of 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90682064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).