5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine

C16H16N4O2S — CID 828557

IUPAC5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C16H16N4O2S/c1-11-3-7-13(8-4-11)15-18-16(17)20(19-15)23(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyDBSJGLVLQFRHSP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.38
Rot. Bonds3

About 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine

5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine (PubChem CID 828557) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
PubChem CID828557
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C16H16N4O2S/c1-11-3-7-13(8-4-11)15-18-16(17)20(19-15)23(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyDBSJGLVLQFRHSP-UHFFFAOYSA-N
XLogP2.38
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine 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

5-(4-methylphenyl)-2-methylsulfonyl-1,2,4-triazol-3-amine
CID 828555
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine
CID 3660565
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 19588047
2-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1,2,4-triazol-3-amine
CID 3287361
3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 170537963
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
CID 1051125
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine (CID 828557) is 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine?
The InChIKey is DBSJGLVLQFRHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-3-7-13(8-4-11)15-18-16(17)20(19-15)23(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,18,19).
What are the key properties of 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine?
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine has a molecular weight of 328.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 828557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).