C101H83F19N38O17S8 — CID 159206289
3-(2-amino-4-fluoro-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-aminoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-hydroxyethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(6-piperidin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 159206289) has the molecular formula C101H83F19N38O17S8 and a molecular weight of 2718.52 g/mol. Its IUPAC name is 3-(2-amino-4-fluoro-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-aminoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-hydroxyethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(6-piperidin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
| Compound Name | 3-(2-amino-4-fluoro-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-aminoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-hydroxyethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(6-piperidin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide |
|---|---|
| PubChem CID | 159206289 |
| Molecular Formula | C101H83F19N38O17S8 |
| Molecular Weight | 2718.52 g/mol |
| Exact Mass | 2716.43 |
| IUPAC Name | 3-(2-amino-4-fluoro-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-aminoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-hydroxyethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(6-piperidin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide |
| SMILES | NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCNCC3)nc2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(S(=O)(=O)CCO)cc2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3c(c2)CNC3=O)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc(N3CCC(O)CC3)c2)c1-c1nn[nH]n1.Nc1ccc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)ccc2n1.Nc1nc2c(F)cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2s1 |
| InChI | InChI=1S/C19H19F3N6O3S.C18H18F3N7O2S.C17H12F3N7O2S.C16H11F3N6O3S.C16H14F3N5O5S2.C15H9F4N7O2S2/c20-19(21,22)15-5-4-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-2-1-3-12(10-11)28-8-6-13(29)7-9-28;19-18(20,21)13-3-2-12(15(16(13)31(22,29)30)17-25-27-28-26-17)11-1-4-14(24-9-11)10-5-7-23-8-6-10;18-17(19,20)11-4-3-10(8-1-5-12-9(7-8)2-6-13(21)23-12)14(15(11)30(22,28)29)16-24-26-27-25-16;17-16(18,19)11-4-3-9(7-1-2-10-8(5-7)6-21-15(10)26)12(13(11)29(20,27)28)14-22-24-25-23-14;17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)30(26,27)8-7-25)13(14(12)31(20,28)29)15-21-23-24-22-15;16-8-3-5(4-9-11(8)22-14(20)29-9)6-1-2-7(15(17,18)19)12(30(21,27)28)10(6)13-23-25-26-24-13/h1-5,10,13,29H,6-9H2,(H2,23,30,31)(H,24,25,26,27);1-4,9-10,23H,5-8H2,(H2,22,29,30)(H,25,26,27,28);1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);1-5H,6H2,(H,21,26)(H2,20,27,28)(H,22,23,24,25);1-6,25H,7-8H2,(H2,20,28,29)(H,21,22,23,24);1-4H,(H2,20,22)(H2,21,27,28)(H,23,24,25,26) |
| InChIKey | KPXVZJODKKGLKI-UHFFFAOYSA-N |
| XLogP | 11.49 |
| TPSA | 897.40 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2718.52 |
| LogP ≤ 5 | 11.49 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 43 |