C140H129ClF15N27O14S6 — CID 159754598
2-(5-chloro-3-cyano-1-cyclohexylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclohexyl-6-methylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-6-cyclopropyl-1-phenylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 159754598) has the molecular formula C140H129ClF15N27O14S6 and a molecular weight of 2926.57 g/mol. Its IUPAC name is 2-(5-chloro-3-cyano-1-cyclohexylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclohexyl-6-methylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-6-cyclopropyl-1-phenylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
| Compound Name | 2-(5-chloro-3-cyano-1-cyclohexylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclohexyl-6-methylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-6-cyclopropyl-1-phenylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide |
|---|---|
| PubChem CID | 159754598 |
| Molecular Formula | C140H129ClF15N27O14S6 |
| Molecular Weight | 2926.57 g/mol |
| Exact Mass | 2923.80 |
| IUPAC Name | 2-(5-chloro-3-cyano-1-cyclohexylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclohexyl-6-methylindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;6-(3-cyano-6-cyclopropyl-1-phenylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide |
| SMILES | CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCCCC2)nc1.Cc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(C)C)cn3)n(C3CCCCC3)c2c1.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(-c2ccccc2)c2cc(C3CC3)ccc12.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(-c2ccccn2)c2ccc(F)cc12.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12.N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCC2)c2cc(OC(F)F)ccc12 |
| InChI | InChI=1S/C26H22F2N4O2S.C24H21F5N4O3S.C23H19F5N4O3S.C23H27N5O2S.C22H24ClN5O2S.C22H16F3N5O2S/c27-13-19(14-28)31-35(33,34)21-9-11-24(30-16-21)26-23(15-29)22-10-8-18(17-6-7-17)12-25(22)32(26)20-4-2-1-3-5-20;25-22(26)36-15-5-7-17-18(12-30)21(33(20(17)11-15)14-3-1-2-4-14)19-8-6-16(13-31-19)37(34,35)32-23(9-10-23)24(27,28)29;24-21(25)35-14-4-6-16-17(11-29)20(32(19(16)10-14)13-2-1-3-13)18-7-5-15(12-30-18)36(33,34)31-22(8-9-22)23(26,27)28;1-15(2)27-31(29,30)18-13-25-23(26-14-18)22-20(12-24)19-10-9-16(3)11-21(19)28(22)17-7-5-4-6-8-17;1-14(2)27-31(29,30)17-12-25-22(26-13-17)21-19(11-24)18-10-15(23)8-9-20(18)28(21)16-6-4-3-5-7-16;23-10-15(11-24)29-33(31,32)16-5-6-19(28-13-16)22-18(12-26)17-9-14(25)4-7-20(17)30(22)21-3-1-2-8-27-21/h1-5,8-12,16-17,19,31H,6-7,13-14H2;5-8,11,13-14,22,32H,1-4,9-10H2;4-7,10,12-13,21,31H,1-3,8-9H2;9-11,13-15,17,27H,4-8H2,1-3H3;8-10,12-14,16,27H,3-7H2,1-2H3;1-9,13,15,29H,10-11H2 |
| InChIKey | NECBBFKTHCXUQQ-UHFFFAOYSA-N |
| XLogP | 28.94 |
| TPSA | 583.81 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2926.57 |
| LogP ≤ 5 | 28.94 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 35 |