5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine

C90H88N32O13S8 — CID 157486252

About 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine

5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine (PubChem CID 157486252) has the molecular formula C90H88N32O13S8 and a molecular weight of 2082.44 g/mol. Its IUPAC name is 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine
• PubChem CID: 157486252
• Molecular Formula: C90H88N32O13S8
• Molecular Weight: 2082.44 g/mol
• Exact Mass: 2080.50
• IUPAC Name: 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine
• SMILES: CC(C)n1nccc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2c[nH]c3nccnc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3c2CCCN3)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3ncccc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2csc(CN3CCOCC3)c2)c1C1=NCN=N1.Cc1sccc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
• InChI: InChI=1S/C18H20N4O3S2.C15H16N6O2S.2C15H12N6O2S.C14H16N6O2S.C13H12N4O2S2/c1-27(23,24)16-4-2-3-15(17(16)18-19-12-20-21-18)13-9-14(26-11-13)10-22-5-7-25-8-6-22;2*1-24(22,23)13-6-2-4-10(14(13)15-16-9-17-20-15)11-8-19-21-12(11)5-3-7-18-21;1-24(22,23)11-4-2-3-9(12(11)14-19-8-20-21-14)10-7-18-15-13(10)16-5-6-17-15;1-9(2)20-11(7-8-15-20)10-5-4-6-12(23(3,21)22)13(10)14-16-18-19-17-14;1-8-9(6-7-20-8)10-4-3-5-11(21(2,18)19)12(10)13-14-16-17-15-13/h2-4,9,11H,5-8,10,12H2,1H3;2,4,6,8,18H,3,5,7,9H2,1H3;2-8H,9H2,1H3;2-7H,8H2,1H3,(H,17,18);4-9H,1-3H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17)
• InChIKey: BWTAAQIHGCCMQF-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 593.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.44
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine?

The IUPAC name of 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine (CID 157486252) is 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine.

What is the SMILES notation for 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine?

The canonical SMILES for 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine is CC(C)n1nccc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2c[nH]c3nccnc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3c2CCCN3)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2cnn3ncccc23)c1C1=NCN=N1.CS(=O)(=O)c1cccc(-c2csc(CN3CCOCC3)c2)c1C1=NCN=N1.Cc1sccc1-c1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.

What is the InChIKey of 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine?

The InChIKey is BWTAAQIHGCCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2.C15H16N6O2S.2C15H12N6O2S.C14H16N6O2S.C13H12N4O2S2/c1-27(23,24)16-4-2-3-15(17(16)18-19-12-20-21-18)13-9-14(26-11-13)10-22-5-7-25-8-6-22;2*1-24(22,23)13-6-2-4-10(14(13)15-16-9-17-20-15)11-8-19-21-12(11)5-3-7-18-21;1-24(22,23)11-4-2-3-9(12(11)14-19-8-20-21-14)10-7-18-15-13(10)16-5-6-17-15;1-9(2)20-11(7-8-15-20)10-5-4-6-12(23(3,21)22)13(10)14-16-18-19-17-14;1-8-9(6-7-20-8)10-4-3-5-11(21(2,18)19)12(10)13-14-16-17-15-13/h2-4,9,11H,5-8,10,12H2,1H3;2,4,6,8,18H,3,5,7,9H2,1H3;2-8H,9H2,1H3;2-7H,8H2,1H3,(H,17,18);4-9H,1-3H3,(H,16,17,18,19);3-7H,1-2H3,(H,14,15,16,17).

What are the key properties of 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine?

5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine has a molecular weight of 2082.44 g/mol, XLogP of 12.62, 21 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 157486252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).