3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole

C17H17N3O2S — CID 11198203

IUPAC3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
SMILESCc1ccc(S(=O)(=O)n2nc(Cc3ccccc3)nc2C)cc1
InChIInChI=1S/C17H17N3O2S/c1-13-8-10-16(11-9-13)23(21,22)20-14(2)18-17(19-20)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyAYHCRSYFORXTJG-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.72
Rot. Bonds4

About 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole

3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole (PubChem CID 11198203) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
PubChem CID11198203
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
SMILESCc1ccc(S(=O)(=O)n2nc(Cc3ccccc3)nc2C)cc1
InChIInChI=1S/C17H17N3O2S/c1-13-8-10-16(11-9-13)23(21,22)20-14(2)18-17(19-20)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyAYHCRSYFORXTJG-UHFFFAOYSA-N
XLogP2.72
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole 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

2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
4-benzyl-1-(4-methylphenyl)sulfonylpyrazole-5-carboxylic acid
CID 20623727
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylethyl)imidazole
CID 102232968
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
CID 53483626
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
ethyl 3-benzyl-5-methyl-1,2,4-triazole-1-carboxylate
CID 172994166
6-benzyl-4-methyl-2-(4-methylphenyl)sulfonyl-1H-pyridazine
CID 102512832
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
The IUPAC name of 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole (CID 11198203) is 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole.
What is the SMILES notation for 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
The canonical SMILES for 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole is Cc1ccc(S(=O)(=O)n2nc(Cc3ccccc3)nc2C)cc1.
What is the InChIKey of 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
The InChIKey is AYHCRSYFORXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-13-8-10-16(11-9-13)23(21,22)20-14(2)18-17(19-20)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole has a molecular weight of 327.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-1,2,4-triazole is sourced from PubChem (CID 11198203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).