1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile

C133H151Cl2F3N26O18S9 — CID 159670710

About 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile

1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile (PubChem CID 159670710) has the molecular formula C133H151Cl2F3N26O18S9 and a molecular weight of 2818.34 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile
• PubChem CID: 159670710
• Molecular Formula: C133H151Cl2F3N26O18S9
• Molecular Weight: 2818.34 g/mol
• Exact Mass: 2814.85
• IUPAC Name: 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile
• SMILES: Cc1cc(S(C)(=O)=O)cc(F)c1C.Cc1ccc(-n2cncn2)cc1.Cc1ccc(-n2cncn2)cc1Cl.Cc1ccc(-n2cncn2)cc1F.Cc1ccc(-n2cnnn2)cc1.Cc1ccc(-n2cnnn2)cc1Cl.Cc1ccc(-n2cnnn2)cc1F.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)nc1.Cc1ccncc1C#N.Cc1cnc(S(C)(=O)=O)cc1C.Cc1cnc(S(C)(=O)=O)cc1C
• InChI: InChI=1S/C9H8ClN3.C9H8FN3.C9H11FO2S.C9H9N3.3C9H12O2S.C8H7ClN4.C8H7FN4.C8H8N4.2C8H11NO2S.2C8H10O2S.C7H6N2.C7H9NO2S/c2*1-7-2-3-8(4-9(7)10)13-6-11-5-12-13;1-6-4-8(13(3,11)12)5-9(10)7(6)2;1-8-2-4-9(5-3-8)12-7-10-6-11-12;3*1-7-4-5-9(6-8(7)2)12(3,10)11;2*1-6-2-3-7(4-8(6)9)13-5-10-11-12-13;1-7-2-4-8(5-3-7)12-6-9-10-11-12;2*1-6-4-8(12(3,10)11)9-5-7(6)2;2*1-7-3-5-8(6-4-7)11(2,9)10;1-6-2-3-9-5-7(6)4-8;1-6-3-4-7(8-5-6)11(2,9)10/h2*2-6H,1H3;4-5H,1-3H3;2-7H,1H3;3*4-6H,1-3H3;2*2-5H,1H3;2-6H,1H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2-3,5H,1H3;3-5H,1-2H3
• InChIKey: MTYRQKHFCBHSKX-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 605.54 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 15
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2818.34
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile?

The IUPAC name of 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile (CID 159670710) is 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile.

What is the SMILES notation for 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile?

The canonical SMILES for 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile is Cc1cc(S(C)(=O)=O)cc(F)c1C.Cc1ccc(-n2cncn2)cc1.Cc1ccc(-n2cncn2)cc1Cl.Cc1ccc(-n2cncn2)cc1F.Cc1ccc(-n2cnnn2)cc1.Cc1ccc(-n2cnnn2)cc1Cl.Cc1ccc(-n2cnnn2)cc1F.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cc1.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)cc1C.Cc1ccc(S(C)(=O)=O)nc1.Cc1ccncc1C#N.Cc1cnc(S(C)(=O)=O)cc1C.Cc1cnc(S(C)(=O)=O)cc1C.

What is the InChIKey of 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile?

The InChIKey is MTYRQKHFCBHSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.C9H8FN3.C9H11FO2S.C9H9N3.3C9H12O2S.C8H7ClN4.C8H7FN4.C8H8N4.2C8H11NO2S.2C8H10O2S.C7H6N2.C7H9NO2S/c2*1-7-2-3-8(4-9(7)10)13-6-11-5-12-13;1-6-4-8(13(3,11)12)5-9(10)7(6)2;1-8-2-4-9(5-3-8)12-7-10-6-11-12;3*1-7-4-5-9(6-8(7)2)12(3,10)11;2*1-6-2-3-7(4-8(6)9)13-5-10-11-12-13;1-7-2-4-8(5-3-7)12-6-9-10-11-12;2*1-6-4-8(12(3,10)11)9-5-7(6)2;2*1-7-3-5-8(6-4-7)11(2,9)10;1-6-2-3-9-5-7(6)4-8;1-6-3-4-7(8-5-6)11(2,9)10/h2*2-6H,1H3;4-5H,1-3H3;2-7H,1H3;3*4-6H,1-3H3;2*2-5H,1H3;2-6H,1H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2-3,5H,1H3;3-5H,1-2H3.

What are the key properties of 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile?

1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile has a molecular weight of 2818.34 g/mol, XLogP of 23.25, 15 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-methylphenyl)tetrazole;1-(3-chloro-4-methylphenyl)-1,2,4-triazole;tris(1,2-dimethyl-4-methylsulfonylbenzene);bis(4,5-dimethyl-2-methylsulfonylpyridine);1-fluoro-2,3-dimethyl-5-methylsulfonylbenzene;1-(3-fluoro-4-methylphenyl)tetrazole;1-(3-fluoro-4-methylphenyl)-1,2,4-triazole;bis(1-methyl-4-methylsulfonylbenzene);5-methyl-2-methylsulfonylpyridine;1-(4-methylphenyl)tetrazole;1-(4-methylphenyl)-1,2,4-triazole;4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 159670710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).