1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole

C18H19N3O3S — CID 7245378

IUPAC1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
SMILESCOc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C18H19N3O3S/c1-12-5-8-15(9-6-12)25(22,23)18-14(3)21(20-19-18)16-11-13(2)7-10-17(16)24-4/h5-11H,1-4H3
InChIKeyDRSPGBGJJYLSSA-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole

1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole (PubChem CID 7245378) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
PubChem CID7245378
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
SMILESCOc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C18H19N3O3S/c1-12-5-8-15(9-6-12)25(22,23)18-14(3)21(20-19-18)16-11-13(2)7-10-17(16)24-4/h5-11H,1-4H3
InChIKeyDRSPGBGJJYLSSA-UHFFFAOYSA-N
XLogP3.03
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(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

Related Compounds

4-(4-tert-butylphenyl)sulfonyl-1-(5-fluoro-2-methoxyphenyl)-5-methyltriazole
CID 164621034
(1R)-1-[3-[4-(4-tert-butylphenyl)sulfonyl-5-methyltriazol-1-yl]-4-methoxyphenyl]ethanol
CID 164624492
1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 20865676
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-sulfonyl chloride
CID 169248208
4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-prop-1-en-2-ylphenyl)-5-methyltriazole
CID 130472405
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
CID 20865699
4-(4-tert-butyl-2-methylphenyl)sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
CID 160604411
4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-5-(chloromethyl)-1-(2,5-dimethoxyphenyl)triazole
CID 161011216
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
5-(4-tert-butylphenyl)sulfonyl-3-(2,5-dimethoxyphenyl)-N,N-diethyltriazol-4-amine
CID 130472111
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole (CID 7245378) is 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole is COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
The InChIKey is DRSPGBGJJYLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-5-8-15(9-6-12)25(22,23)18-14(3)21(20-19-18)16-11-13(2)7-10-17(16)24-4/h5-11H,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole has a molecular weight of 357.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole is sourced from PubChem (CID 7245378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).