1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole

C18H19N3O2S — CID 20865676

IUPAC1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
SMILESCc1ccc(S(=O)(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-12-5-7-17(8-6-12)24(22,23)18-15(4)21(20-19-18)16-10-13(2)9-14(3)11-16/h5-11H,1-4H3
InChIKeyRGGOEYWFMLXFNN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.33
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole

1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole (PubChem CID 20865676) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
PubChem CID20865676
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
SMILESCc1ccc(S(=O)(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-12-5-7-17(8-6-12)24(22,23)18-15(4)21(20-19-18)16-10-13(2)9-14(3)11-16/h5-11H,1-4H3
InChIKeyRGGOEYWFMLXFNN-UHFFFAOYSA-N
XLogP3.33
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-5-methyl-4-(4-propan-2-ylphenyl)sulfonyltriazole
CID 20865716
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 7245378
1-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-5-methyltriazole
CID 20865699
4-(4-tert-butylphenyl)sulfonyl-5-methyl-1-(4-propan-2-ylphenyl)triazole
CID 20865727
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
5-(benzenesulfonyl)-3-(2-methylphenyl)triazol-4-amine
CID 94938426
4-(4-tert-butylphenyl)sulfonyl-1-(5-fluoro-2-methoxyphenyl)-5-methyltriazole
CID 164621034
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole (CID 20865676) is 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole is Cc1ccc(S(=O)(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
The InChIKey is RGGOEYWFMLXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-7-17(8-6-12)24(22,23)18-15(4)21(20-19-18)16-10-13(2)9-14(3)11-16/h5-11H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole?
1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole has a molecular weight of 341.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole is sourced from PubChem (CID 20865676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).