C107H105F18N35O19S8 — CID 160670832
3-[4-(2-aminoethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[cyclohexyl(hydroxy)methyl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(3-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(sulfamoylmethyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 160670832) has the molecular formula C107H105F18N35O19S8 and a molecular weight of 2783.74 g/mol. Its IUPAC name is 3-[4-(2-aminoethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[cyclohexyl(hydroxy)methyl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(3-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(sulfamoylmethyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
| Compound Name | 3-[4-(2-aminoethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[cyclohexyl(hydroxy)methyl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(3-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(sulfamoylmethyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide |
|---|---|
| PubChem CID | 160670832 |
| Molecular Formula | C107H105F18N35O19S8 |
| Molecular Weight | 2783.74 g/mol |
| Exact Mass | 2781.58 |
| IUPAC Name | 3-[4-(2-aminoethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[cyclohexyl(hydroxy)methyl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(3-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(sulfamoylmethyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide |
| SMILES | NCCCc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.NCCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.NS(=O)(=O)Cc1cccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)c1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C(O)C3CCCCC3)cc2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(N3CCC(O)CC3)cc2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc(N3CCCC(O)C3)c2)c1-c1nn[nH]n1 |
| InChI | InChI=1S/C21H22F3N5O3S.2C19H19F3N6O3S.C17H17F3N6O2S.C16H15F3N6O4S2.C15H13F3N6O4S2/c22-21(23,24)16-11-10-15(17(19(16)33(25,31)32)20-26-28-29-27-20)12-6-8-14(9-7-12)18(30)13-4-2-1-3-5-13;20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28;20-19(21,22)15-7-6-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-3-1-4-12(9-11)28-8-2-5-13(29)10-28;18-17(19,20)13-8-7-12(11-5-3-10(4-6-11)2-1-9-21)14(15(13)29(22,27)28)16-23-25-26-24-16;17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)30(26,27)8-7-20)13(14(12)31(21,28)29)15-22-24-25-23-15;16-15(17,18)11-5-4-10(9-3-1-2-8(6-9)7-29(19,25)26)12(13(11)30(20,27)28)14-21-23-24-22-14/h6-11,13,18,30H,1-5H2,(H2,25,31,32)(H,26,27,28,29);1-6,13,29H,7-10H2,(H2,23,30,31)(H,24,25,26,27);1,3-4,6-7,9,13,29H,2,5,8,10H2,(H2,23,30,31)(H,24,25,26,27);3-8H,1-2,9,21H2,(H2,22,27,28)(H,23,24,25,26);1-6H,7-8,20H2,(H2,21,28,29)(H,22,23,24,25);1-6H,7H2,(H2,19,25,26)(H2,20,27,28)(H,21,22,23,24) |
| InChIKey | RMXGYECICPCADZ-UHFFFAOYSA-N |
| XLogP | 12.15 |
| TPSA | 901.23 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2783.74 |
| LogP ≤ 5 | 12.15 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 41 |