C135H152F18N42O12S6 — CID 159572378
3-[4-[1-(3-aminocyclohexyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminocyclopentyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminoethyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(2-aminoethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[3-(methylamino)cyclobutyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 159572378) has the molecular formula C135H152F18N42O12S6 and a molecular weight of 3089.35 g/mol. Its IUPAC name is 3-[4-[1-(3-aminocyclohexyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminocyclopentyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminoethyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(2-aminoethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[3-(methylamino)cyclobutyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
| Compound Name | 3-[4-[1-(3-aminocyclohexyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminocyclopentyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminoethyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(2-aminoethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[3-(methylamino)cyclobutyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide |
|---|---|
| PubChem CID | 159572378 |
| Molecular Formula | C135H152F18N42O12S6 |
| Molecular Weight | 3089.35 g/mol |
| Exact Mass | 3087.06 |
| IUPAC Name | 3-[4-[1-(3-aminocyclohexyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminocyclopentyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(2-aminoethyl)azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(2-aminoethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[3-(methylamino)cyclobutyl]azetidin-3-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide |
| SMILES | CNC1CC(N2CC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)C2)C1.NC1CCCC(N2CC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)C2)C1.NC1CCCC1N1CC(c2ccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2)C1.NCC1CCC(N2CC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)C2)CC1.NCCC1CCC(N2CC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)C2)CC1.NCCN1CC(c2ccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2)C1 |
| InChI | InChI=1S/C25H30F3N7O2S.C24H28F3N7O2S.C23H26F3N7O2S.2C22H24F3N7O2S.C19H20F3N7O2S/c26-25(27,28)21-10-9-20(22(23(21)38(30,36)37)24-31-33-34-32-24)17-5-3-16(4-6-17)18-13-35(14-18)19-7-1-15(2-8-19)11-12-29;25-24(26,27)20-10-9-19(21(22(20)37(29,35)36)23-30-32-33-31-23)16-5-3-15(4-6-16)17-12-34(13-17)18-7-1-14(11-28)2-8-18;24-23(25,26)19-9-8-18(20(21(19)36(28,34)35)22-29-31-32-30-22)14-6-4-13(5-7-14)15-11-33(12-15)17-3-1-2-16(27)10-17;1-27-15-8-16(9-15)32-10-14(11-32)12-2-4-13(5-3-12)17-6-7-18(22(23,24)25)20(35(26,33)34)19(17)21-28-30-31-29-21;23-22(24,25)16-9-8-15(19(20(16)35(27,33)34)21-28-30-31-29-21)13-6-4-12(5-7-13)14-10-32(11-14)18-3-1-2-17(18)26;20-19(21,22)15-6-5-14(16(17(15)32(24,30)31)18-25-27-28-26-18)12-3-1-11(2-4-12)13-9-29(10-13)8-7-23/h3-6,9-10,15,18-19H,1-2,7-8,11-14,29H2,(H2,30,36,37)(H,31,32,33,34);3-6,9-10,14,17-18H,1-2,7-8,11-13,28H2,(H2,29,35,36)(H,30,31,32,33);4-9,15-17H,1-3,10-12,27H2,(H2,28,34,35)(H,29,30,31,32);2-7,14-16,27H,8-11H2,1H3,(H2,26,33,34)(H,28,29,30,31);4-9,14,17-18H,1-3,10-11,26H2,(H2,27,33,34)(H,28,29,30,31);1-6,13H,7-10,23H2,(H2,24,30,31)(H,25,26,27,28) |
| InChIKey | MHZFVBHMYMWNQJ-UHFFFAOYSA-N |
| XLogP | 15.88 |
| TPSA | 849.29 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3089.35 |
| LogP ≤ 5 | 15.88 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 42 |