4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole

C16H15N3O2S — CID 53235743

IUPAC4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-3-7-14(8-4-12)16-11-19(18-17-16)22(20,21)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyWZJHKPBCXWXOMV-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.80
Rot. Bonds3

About 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole

4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole (PubChem CID 53235743) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
PubChem CID53235743
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-3-7-14(8-4-12)16-11-19(18-17-16)22(20,21)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyWZJHKPBCXWXOMV-UHFFFAOYSA-N
XLogP2.80
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole?
The IUPAC name of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole (CID 53235743) is 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole.
What is the SMILES notation for 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole?
The canonical SMILES for 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole is Cc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole?
The InChIKey is WZJHKPBCXWXOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-3-7-14(8-4-12)16-11-19(18-17-16)22(20,21)15-9-5-13(2)6-10-15/h3-11H,1-2H3.
What are the key properties of 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole?
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole has a molecular weight of 313.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole is sourced from PubChem (CID 53235743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).