N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide

C10H11N5O3S — CID 47367376

IUPACN-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N5O3S/c1-6-2-3-7(4-9(6)19(11,17)18)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H2,11,17,18)(H,12,14,15)
InChIKeyUGTSYCZVDYKKFF-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.01
Rot. Bonds3

About N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide

N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide (PubChem CID 47367376) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
PubChem CID47367376
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C10H11N5O3S/c1-6-2-3-7(4-9(6)19(11,17)18)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H2,11,17,18)(H,12,14,15)
InChIKeyUGTSYCZVDYKKFF-UHFFFAOYSA-N
XLogP0.01
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-3-sulfamoylphenyl)-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-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 113226196
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 51255621

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide (CID 47367376) is N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide is Cc1ccc(NC(=O)c2cn[nH]n2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is UGTSYCZVDYKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-2-3-7(4-9(6)19(11,17)18)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H2,11,17,18)(H,12,14,15).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47367376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).