3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
C96H76F6N40O12S8 — CID 161101390
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3ncccc23)c1C1=NNNN1.Cc1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(C#N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccn3cncc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.[H]/N=C(\N)c1nc2c(-c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1
InChIInChI=1S/C18H14F3N5O2S.C16H11F3N6O2S.C16H14N8O2S2.C16H11N7O2S2.2C15H13N7O2S/c1-29(27,28)16-13(18(19,20)21)8-7-12(15(16)17-23-25-26-24-17)10-4-2-6-14-11(10)5-3-9-22-14;1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9;1-7-5-6-8(11(13(7)28(19,25)26)15-21-23-24-22-15)9-3-2-4-10-12(9)20-16(27-10)14(17)18;1-8-5-6-9(10-3-2-4-11-14(10)19-12(7-17)26-11)13(15(8)27(18,24)25)16-20-22-23-21-16;1-9-2-4-11(10-3-5-12-17-6-7-22(12)8-10)13(14(9)25(16,23)24)15-18-20-21-19-15;1-9-4-5-11(10-3-2-6-22-8-17-7-12(10)22)13(14(9)25(16,23)24)15-18-20-21-19-15/h2-9,25-26H,1H3,(H,23,24);2-8H,1H3,(H,21,22,23,24);2-6H,1H3,(H3,17,18)(H2,19,25,26)(H,21,22,23,24);2-6H,1H3,(H2,18,24,25)(H,20,21,22,23);2*2-8H,1H3,(H2,16,23,24)(H,18,19,20,21)
InChIKeyUILWRKHRYQAQNL-UHFFFAOYSA-N
MW2352.46 g/mol
LogP10.83
Rot. Bonds19
About 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 161101390) has the molecular formula C96H76F6N40O12S8 and a molecular weight of 2352.46 g/mol. Its IUPAC name is 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
Molecular Properties
| Compound Name | 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine |
|---|---|
| PubChem CID | 161101390 |
| Molecular Formula | C96H76F6N40O12S8 |
| Molecular Weight | 2352.46 g/mol |
| Exact Mass | 2350.42 |
| IUPAC Name | 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine |
| SMILES | CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3ncccc23)c1C1=NNNN1.Cc1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(C#N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccn3cncc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.[H]/N=C(\N)c1nc2c(-c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1 |
| InChI | InChI=1S/C18H14F3N5O2S.C16H11F3N6O2S.C16H14N8O2S2.C16H11N7O2S2.2C15H13N7O2S/c1-29(27,28)16-13(18(19,20)21)8-7-12(15(16)17-23-25-26-24-17)10-4-2-6-14-11(10)5-3-9-22-14;1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9;1-7-5-6-8(11(13(7)28(19,25)26)15-21-23-24-22-15)9-3-2-4-10-12(9)20-16(27-10)14(17)18;1-8-5-6-9(10-3-2-4-11-14(10)19-12(7-17)26-11)13(15(8)27(18,24)25)16-20-22-23-21-16;1-9-2-4-11(10-3-5-12-17-6-7-22(12)8-10)13(14(9)25(16,23)24)15-18-20-21-19-15;1-9-4-5-11(10-3-2-6-22-8-17-7-12(10)22)13(14(9)25(16,23)24)15-18-20-21-19-15/h2-9,25-26H,1H3,(H,23,24);2-8H,1H3,(H,21,22,23,24);2-6H,1H3,(H3,17,18)(H2,19,25,26)(H,21,22,23,24);2-6H,1H3,(H2,18,24,25)(H,20,21,22,23);2*2-8H,1H3,(H2,16,23,24)(H,18,19,20,21) |
| InChIKey | UILWRKHRYQAQNL-UHFFFAOYSA-N |
| XLogP | 10.83 |
| TPSA | 793.90 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 162 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2352.46 |
| LogP ≤ 5 | 10.83 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 44 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (CID 161101390) is 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3ncccc23)c1C1=NNNN1.Cc1ccc(-c2ccc3nccn3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(C#N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccn3cncc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.[H]/N=C(\N)c1nc2c(-c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1.
What is the InChIKey of 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is UILWRKHRYQAQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2S.C16H11F3N6O2S.C16H14N8O2S2.C16H11N7O2S2.2C15H13N7O2S/c1-29(27,28)16-13(18(19,20)21)8-7-12(15(16)17-23-25-26-24-17)10-4-2-6-14-11(10)5-3-9-22-14;1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9;1-7-5-6-8(11(13(7)28(19,25)26)15-21-23-24-22-15)9-3-2-4-10-12(9)20-16(27-10)14(17)18;1-8-5-6-9(10-3-2-4-11-14(10)19-12(7-17)26-11)13(15(8)27(18,24)25)16-20-22-23-21-16;1-9-2-4-11(10-3-5-12-17-6-7-22(12)8-10)13(14(9)25(16,23)24)15-18-20-21-19-15;1-9-4-5-11(10-3-2-6-22-8-17-7-12(10)22)13(14(9)25(16,23)24)15-18-20-21-19-15/h2-9,25-26H,1H3,(H,23,24);2-8H,1H3,(H,21,22,23,24);2-6H,1H3,(H3,17,18)(H2,19,25,26)(H,21,22,23,24);2-6H,1H3,(H2,18,24,25)(H,20,21,22,23);2*2-8H,1H3,(H2,16,23,24)(H,18,19,20,21).
What are the key properties of 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 2352.46 g/mol, XLogP of 10.83, 19 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;5-[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-methylsulfonyl-4-(trifluoromethyl)phenyl]quinoline;3-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-imidazo[1,5-a]pyridin-8-yl-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 161101390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 161101390 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.