N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide

C10H11N5O3S — CID 78969284

IUPACN-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C10H11N5O3S/c1-11-19(17,18)8-4-2-7(3-5-8)13-10(16)9-6-12-15-14-9/h2-6,11H,1H3,(H,13,16)(H,12,14,15)
InChIKeyNQAGYLWGRVXFLO-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.03
Rot. Bonds4

About N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide

N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 78969284) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID78969284
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C10H11N5O3S/c1-11-19(17,18)8-4-2-7(3-5-8)13-10(16)9-6-12-15-14-9/h2-6,11H,1H3,(H,13,16)(H,12,14,15)
InChIKeyNQAGYLWGRVXFLO-UHFFFAOYSA-N
XLogP-0.03
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(methylsulfamoyl)phenyl]-2H-triazole-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

Related Compounds

N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
4-(2H-triazole-4-carbonylamino)benzoic acid
CID 62033868
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-[4-(methylsulfamoyl)phenyl]-1,2-thiazole-4-carboxamide
CID 141468396
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
3-[4-(2H-triazole-4-carbonylamino)phenyl]prop-2-enoic acid
CID 78979322
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide (CID 78969284) is N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2cn[nH]n2)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is NQAGYLWGRVXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-11-19(17,18)8-4-2-7(3-5-8)13-10(16)9-6-12-15-14-9/h2-6,11H,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide?
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 281.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78969284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).