5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine

C114H96N38O14S9 — CID 158153420

IUPAC5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc3cc(C#N)ccc3[nH]2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3ccccc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2csc3ccccc23)c1C1=NCN=N1.Cc1nccn1-c1nc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cs1.Cn1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1
InChIInChI=1S/2C18H16N6O2S.C18H13N5O2S.C17H13N3O2S2.C16H13N5O2S.C15H13N7O2S2.C12H12N6O2S/c1-27(25,26)16-7-4-6-15(17(16)18-20-12-21-23-18)13-9-22-24(10-13)11-14-5-2-3-8-19-14;1-27(25,26)16-4-2-3-15(17(16)18-20-12-21-23-18)14-9-22-24(11-14)10-13-5-7-19-8-6-13;1-26(24,25)16-4-2-3-13(17(16)18-20-10-21-23-18)15-8-12-7-11(9-19)5-6-14(12)22-15;1-24(21,22)15-8-4-6-12(16(15)17-18-10-19-20-17)13-9-23-14-7-3-2-5-11(13)14;1-24(22,23)14-7-4-5-11(15(14)16-17-10-18-20-16)12-9-19-21-8-3-2-6-13(12)21;1-9-16-6-7-22(9)15-17-11(8-25-15)10-4-3-5-12(26(2,23)24)13(10)14-18-20-21-19-14;1-18-7-6-9(15-18)8-4-3-5-10(21(2,19)20)11(8)12-13-16-17-14-12/h2-10H,11-12H2,1H3;2-9,11H,10,12H2,1H3;2-8,22H,10H2,1H3;2*2-9H,10H2,1H3;3-8H,1-2H3,(H,18,19,20,21);3-7H,1-2H3,(H,13,14,16,17)
InChIKeyFVJXZHWIRZTSAG-UHFFFAOYSA-N
MW2510.88 g/mol
LogP17.69
Rot. Bonds26

About 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine

5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine (PubChem CID 158153420) has the molecular formula C114H96N38O14S9 and a molecular weight of 2510.88 g/mol. Its IUPAC name is 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine
PubChem CID158153420
Molecular FormulaC114H96N38O14S9
Molecular Weight2510.88 g/mol
Exact Mass2508.55
IUPAC Name5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc3cc(C#N)ccc3[nH]2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3ccccc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2csc3ccccc23)c1C1=NCN=N1.Cc1nccn1-c1nc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cs1.Cn1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1
InChIInChI=1S/2C18H16N6O2S.C18H13N5O2S.C17H13N3O2S2.C16H13N5O2S.C15H13N7O2S2.C12H12N6O2S/c1-27(25,26)16-7-4-6-15(17(16)18-20-12-21-23-18)13-9-22-24(10-13)11-14-5-2-3-8-19-14;1-27(25,26)16-4-2-3-15(17(16)18-20-12-21-23-18)14-9-22-24(11-14)10-13-5-7-19-8-6-13;1-26(24,25)16-4-2-3-13(17(16)18-20-10-21-23-18)15-8-12-7-11(9-19)5-6-14(12)22-15;1-24(21,22)15-8-4-6-12(16(15)17-18-10-19-20-17)13-9-23-14-7-3-2-5-11(13)14;1-24(22,23)14-7-4-5-11(15(14)16-17-10-18-20-16)12-9-19-21-8-3-2-6-13(12)21;1-9-16-6-7-22(9)15-17-11(8-25-15)10-4-3-5-12(26(2,23)24)13(10)14-18-20-21-19-14;1-18-7-6-9(15-18)8-4-3-5-10(21(2,19)20)11(8)12-13-16-17-14-12/h2-10H,11-12H2,1H3;2-9,11H,10,12H2,1H3;2-8,22H,10H2,1H3;2*2-9H,10H2,1H3;3-8H,1-2H3,(H,18,19,20,21);3-7H,1-2H3,(H,13,14,16,17)
InChIKeyFVJXZHWIRZTSAG-UHFFFAOYSA-N
XLogP17.69
TPSA700.13 Ų
H-Bond Donors3
H-Bond Acceptors51
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002510.88
LogP ≤ 517.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1051

Analyze 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine (CID 158153420) is 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine is CS(=O)(=O)c1cccc(-c2cc3cc(C#N)ccc3[nH]2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3ccccc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2csc3ccccc23)c1C1=NCN=N1.Cc1nccn1-c1nc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cs1.Cn1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)n1.
What is the InChIKey of 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine?
The InChIKey is FVJXZHWIRZTSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16N6O2S.C18H13N5O2S.C17H13N3O2S2.C16H13N5O2S.C15H13N7O2S2.C12H12N6O2S/c1-27(25,26)16-7-4-6-15(17(16)18-20-12-21-23-18)13-9-22-24(10-13)11-14-5-2-3-8-19-14;1-27(25,26)16-4-2-3-15(17(16)18-20-12-21-23-18)14-9-22-24(11-14)10-13-5-7-19-8-6-13;1-26(24,25)16-4-2-3-13(17(16)18-20-10-21-23-18)15-8-12-7-11(9-19)5-6-14(12)22-15;1-24(21,22)15-8-4-6-12(16(15)17-18-10-19-20-17)13-9-23-14-7-3-2-5-11(13)14;1-24(22,23)14-7-4-5-11(15(14)16-17-10-18-20-16)12-9-19-21-8-3-2-6-13(12)21;1-9-16-6-7-22(9)15-17-11(8-25-15)10-4-3-5-12(26(2,23)24)13(10)14-18-20-21-19-14;1-18-7-6-9(15-18)8-4-3-5-10(21(2,19)20)11(8)12-13-16-17-14-12/h2-10H,11-12H2,1H3;2-9,11H,10,12H2,1H3;2-8,22H,10H2,1H3;2*2-9H,10H2,1H3;3-8H,1-2H3,(H,18,19,20,21);3-7H,1-2H3,(H,13,14,16,17).
What are the key properties of 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine?
5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine has a molecular weight of 2510.88 g/mol, XLogP of 17.69, 26 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzothiophen-3-yl)-6-methylsulfonylphenyl]-3H-1,2,4-triazole;2-(2-methylimidazol-1-yl)-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole;5-[2-(1-methylpyrazol-3-yl)-6-methylsulfonylphenyl]-2H-tetrazole;2-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-1H-indole-5-carbonitrile;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine;2-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 158153420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).