1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole

C17H17N3O4S — CID 20865699

IUPAC1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
SMILESCOc1ccc(-n2nnc(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C17H17N3O4S/c1-12-17(25(21,22)16-10-8-15(24-3)9-11-16)18-19-20(12)13-4-6-14(23-2)7-5-13/h4-11H,1-3H3
InChIKeyLBZOLJIUWYZWOD-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole

1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole (PubChem CID 20865699) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
PubChem CID20865699
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
SMILESCOc1ccc(-n2nnc(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C17H17N3O4S/c1-12-17(25(21,22)16-10-8-15(24-3)9-11-16)18-19-20(12)13-4-6-14(23-2)7-5-13/h4-11H,1-3H3
InChIKeyLBZOLJIUWYZWOD-UHFFFAOYSA-N
XLogP2.43
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole 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 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole (CID 20865699) is 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole is COc1ccc(-n2nnc(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole?
The InChIKey is LBZOLJIUWYZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-17(25(21,22)16-10-8-15(24-3)9-11-16)18-19-20(12)13-4-6-14(23-2)7-5-13/h4-11H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole?
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole has a molecular weight of 359.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole is sourced from PubChem (CID 20865699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).