5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C92H92N36O12S7 — CID 158864491

About 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 158864491) has the molecular formula C92H92N36O12S7 and a molecular weight of 2118.46 g/mol. Its IUPAC name is 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
• PubChem CID: 158864491
• Molecular Formula: C92H92N36O12S7
• Molecular Weight: 2118.46 g/mol
• Exact Mass: 2116.57
• IUPAC Name: 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
• SMILES: CS(=O)(=O)c1cccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3[nH]nc(N)c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3c(N)n[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(C2CCC(N)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(C2CCn3cncc3C2)c1-c1nn[nH]n1
• InChI: InChI=1S/C18H19N5O2S.2C15H13N7O2S.C15H12N6O2S2.C15H16N6O2S.C14H19N5O2S/c1-26(24,25)16-4-2-3-15(17(16)18-20-22-23-21-18)13-7-5-12(6-8-13)14-9-10-19-11-14;1-25(23,24)12-4-2-3-9(13(12)15-19-21-22-20-15)8-5-6-11-10(7-8)14(16)18-17-11;1-25(23,24)12-4-2-3-9(13(12)15-19-21-22-20-15)8-5-6-10-11(7-8)17-18-14(10)16;1-25(22,23)11-7-3-4-8(12(11)14-18-20-21-19-14)9-5-2-6-10-13(9)17-15(16)24-10;1-24(22,23)13-4-2-3-12(14(13)15-17-19-20-18-15)10-5-6-21-9-16-8-11(21)7-10;1-22(20,21)12-4-2-3-11(9-5-7-10(15)8-6-9)13(12)14-16-18-19-17-14/h2-8,14,19H,9-11H2,1H3,(H,20,21,22,23);2*2-7H,1H3,(H3,16,17,18)(H,19,20,21,22);2-7H,1H3,(H2,16,17)(H,18,19,20,21);2-4,8-10H,5-7H2,1H3,(H,17,18,19,20);2-4,9-10H,5-8,15H2,1H3,(H,16,17,18,19)
• InChIKey: JBBFNKLKSUGGAW-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 735.78 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.46
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

The IUPAC name of 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 158864491) is 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

What is the SMILES notation for 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

The canonical SMILES for 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CS(=O)(=O)c1cccc(-c2ccc(C3CCNC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3[nH]nc(N)c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3c(N)n[nH]c3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(C2CCC(N)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(C2CCn3cncc3C2)c1-c1nn[nH]n1.

What is the InChIKey of 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

The InChIKey is JBBFNKLKSUGGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S.2C15H13N7O2S.C15H12N6O2S2.C15H16N6O2S.C14H19N5O2S/c1-26(24,25)16-4-2-3-15(17(16)18-20-22-23-21-18)13-7-5-12(6-8-13)14-9-10-19-11-14;1-25(23,24)12-4-2-3-9(13(12)15-19-21-22-20-15)8-5-6-11-10(7-8)14(16)18-17-11;1-25(23,24)12-4-2-3-9(13(12)15-19-21-22-20-15)8-5-6-10-11(7-8)17-18-14(10)16;1-25(22,23)11-7-3-4-8(12(11)14-18-20-21-19-14)9-5-2-6-10-13(9)17-15(16)24-10;1-24(22,23)13-4-2-3-12(14(13)15-17-19-20-18-15)10-5-6-21-9-16-8-11(21)7-10;1-22(20,21)12-4-2-3-11(9-5-7-10(15)8-6-9)13(12)14-16-18-19-17-14/h2-8,14,19H,9-11H2,1H3,(H,20,21,22,23);2*2-7H,1H3,(H3,16,17,18)(H,19,20,21,22);2-7H,1H3,(H2,16,17)(H,18,19,20,21);2-4,8-10H,5-7H2,1H3,(H,17,18,19,20);2-4,9-10H,5-8,15H2,1H3,(H,16,17,18,19).

What are the key properties of 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?

5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 2118.46 g/mol, XLogP of 9.39, 19 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methylsulfonyl-6-(4-pyrrolidin-3-ylphenyl)phenyl]-2H-tetrazole;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexan-1-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1H-indazol-3-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 158864491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).