C132H119F21N26O12S6 — CID 161270172
6-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (PubChem CID 161270172) has the molecular formula C132H119F21N26O12S6 and a molecular weight of 2852.93 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.
| Compound Name | 6-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide |
|---|---|
| PubChem CID | 161270172 |
| Molecular Formula | C132H119F21N26O12S6 |
| Molecular Weight | 2852.93 g/mol |
| Exact Mass | 2850.75 |
| IUPAC Name | 6-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclobutyl-6-(difluoromethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide |
| SMILES | CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3ccc(C(F)F)cc3n2C2CCC2)nc1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(C(F)F)ccc12.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2ccc(F)cc12.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCC2)c2ccc(F)cc12.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2cc(C(F)F)ccc12 |
| InChI | InChI=1S/C23H20F4N4O2S.C23H21F3N4O2S.C22H18F4N4O2S.C22H20F4N4O2S.C21H19F4N5O2S.C21H21F2N5O2S/c24-14-5-8-20-17(11-14)18(12-28)21(31(20)15-3-1-2-4-15)19-7-6-16(13-29-19)34(32,33)30-22(9-10-22)23(25,26)27;1-14-5-8-20-17(11-14)18(12-27)21(30(20)15-3-2-4-15)19-7-6-16(13-28-19)33(31,32)29-22(9-10-22)23(24,25)26;23-13-4-7-19-16(10-13)17(11-27)20(30(19)14-2-1-3-14)18-6-5-15(12-28-18)33(31,32)29-21(8-9-21)22(24,25)26;23-9-14(10-24)29-33(31,32)16-5-7-19(28-12-16)21-18(11-27)17-6-4-13(22(25)26)8-20(17)30(21)15-2-1-3-15;22-7-13(8-23)29-33(31,32)15-10-27-21(28-11-15)19-17(9-26)16-5-4-12(20(24)25)6-18(16)30(19)14-2-1-3-14;1-12(2)27-31(29,30)15-10-25-21(26-11-15)19-17(9-24)16-7-6-13(20(22)23)8-18(16)28(19)14-4-3-5-14/h5-8,11,13,15,30H,1-4,9-10H2;5-8,11,13,15,29H,2-4,9-10H2,1H3;4-7,10,12,14,29H,1-3,8-9H2;4-8,12,14-15,22,29H,1-3,9-10H2;4-6,10-11,13-14,20,29H,1-3,7-8H2;6-8,10-12,14,20,27H,3-5H2,1-2H3 |
| InChIKey | VDRZVXKUYPJAIU-UHFFFAOYSA-N |
| XLogP | 28.36 |
| TPSA | 552.46 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2852.93 |
| LogP ≤ 5 | 28.36 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 32 |