1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine

C84H78N28O13S6 — CID 159697376

IUPAC1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine
SMILESCc1ccc(S(=O)(=O)c2cn(Cc3cccnc3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ccco3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ccncn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3cnccn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ncccn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ncncn3)nn2)cc1
InChIInChI=1S/C15H14N4O2S.3C14H13N5O2S.C14H13N3O3S.C13H12N6O2S/c1-12-4-6-14(7-5-12)22(20,21)15-11-19(18-17-15)10-13-3-2-8-16-9-13;1-11-3-5-12(6-4-11)22(20,21)14-10-19(18-17-14)9-13-15-7-2-8-16-13;1-11-2-4-13(5-3-11)22(20,21)14-10-19(18-17-14)9-12-8-15-6-7-16-12;1-11-2-4-13(5-3-11)22(20,21)14-9-19(18-17-14)8-12-6-7-15-10-16-12;1-11-4-6-13(7-5-11)21(18,19)14-10-17(16-15-14)9-12-3-2-8-20-12;1-10-2-4-11(5-3-10)22(20,21)13-7-19(18-17-13)6-12-15-8-14-9-16-12/h2-9,11H,10H2,1H3;2*2-8,10H,9H2,1H3;2-7,9-10H,8H2,1H3;2-8,10H,9H2,1H3;2-5,7-9H,6H2,1H3
InChIKeyMXELFHYLJQVHPL-UHFFFAOYSA-N
MW1880.13 g/mol
LogP8.35
Rot. Bonds24

About 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine

1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine (PubChem CID 159697376) has the molecular formula C84H78N28O13S6 and a molecular weight of 1880.13 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine
PubChem CID159697376
Molecular FormulaC84H78N28O13S6
Molecular Weight1880.13 g/mol
Exact Mass1878.46
IUPAC Name1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine
SMILESCc1ccc(S(=O)(=O)c2cn(Cc3cccnc3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ccco3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ccncn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3cnccn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ncccn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ncncn3)nn2)cc1
InChIInChI=1S/C15H14N4O2S.3C14H13N5O2S.C14H13N3O3S.C13H12N6O2S/c1-12-4-6-14(7-5-12)22(20,21)15-11-19(18-17-15)10-13-3-2-8-16-9-13;1-11-3-5-12(6-4-11)22(20,21)14-10-19(18-17-14)9-13-15-7-2-8-16-13;1-11-2-4-13(5-3-11)22(20,21)14-10-19(18-17-14)9-12-8-15-6-7-16-12;1-11-2-4-13(5-3-11)22(20,21)14-9-19(18-17-14)8-12-6-7-15-10-16-12;1-11-4-6-13(7-5-11)21(18,19)14-10-17(16-15-14)9-12-3-2-8-20-12;1-10-2-4-11(5-3-10)22(20,21)13-7-19(18-17-13)6-12-15-8-14-9-16-12/h2-9,11H,10H2,1H3;2*2-8,10H,9H2,1H3;2-7,9-10H,8H2,1H3;2-8,10H,9H2,1H3;2-5,7-9H,6H2,1H3
InChIKeyMXELFHYLJQVHPL-UHFFFAOYSA-N
XLogP8.35
TPSA531.14 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms131
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.13
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine 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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine (CID 159697376) is 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine is Cc1ccc(S(=O)(=O)c2cn(Cc3cccnc3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ccco3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ccncn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3cnccn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ncccn3)nn2)cc1.Cc1ccc(S(=O)(=O)c2cn(Cc3ncncn3)nn2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine?
The InChIKey is MXELFHYLJQVHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S.3C14H13N5O2S.C14H13N3O3S.C13H12N6O2S/c1-12-4-6-14(7-5-12)22(20,21)15-11-19(18-17-15)10-13-3-2-8-16-9-13;1-11-3-5-12(6-4-11)22(20,21)14-10-19(18-17-14)9-13-15-7-2-8-16-13;1-11-2-4-13(5-3-11)22(20,21)14-10-19(18-17-14)9-12-8-15-6-7-16-12;1-11-2-4-13(5-3-11)22(20,21)14-9-19(18-17-14)8-12-6-7-15-10-16-12;1-11-4-6-13(7-5-11)21(18,19)14-10-17(16-15-14)9-12-3-2-8-20-12;1-10-2-4-11(5-3-10)22(20,21)13-7-19(18-17-13)6-12-15-8-14-9-16-12/h2-9,11H,10H2,1H3;2*2-8,10H,9H2,1H3;2-7,9-10H,8H2,1H3;2-8,10H,9H2,1H3;2-5,7-9H,6H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine?
1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine has a molecular weight of 1880.13 g/mol, XLogP of 8.35, 24 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(4-methylphenyl)sulfonyltriazole;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrazine;3-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyridine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;4-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]pyrimidine;2-[[4-(4-methylphenyl)sulfonyltriazol-1-yl]methyl]-1,3,5-triazine is sourced from PubChem (CID 159697376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).