6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
C131H112Cl6F15N27O12S6 — CID 159323524
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159323524) has the molecular formula C131H112Cl6F15N27O12S6 and a molecular weight of 2946.60 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
Molecular Properties
| Compound Name | 6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide |
|---|---|
| PubChem CID | 159323524 |
| Molecular Formula | C131H112Cl6F15N27O12S6 |
| Molecular Weight | 2946.60 g/mol |
| Exact Mass | 2941.52 |
| IUPAC Name | 6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclobutyl-6-methylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyridin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide |
| SMILES | C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2-c2ccccn2)nc1)C(F)(F)F.Cc1cc2c(cc1Cl)c(C#N)c(-c1ccc(S(=O)(=O)NC(CF)CF)cn1)n2C1CCC1.Cc1cc2c(cc1Cl)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.Cc1cc2c(cc1Cl)c(C#N)c(-c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cn1)n2C1CCC1.Cc1cc2c(cc1Cl)c(C#N)c(-c1ncc(S(=O)(=O)NC(CF)CF)cn1)n2C1CCC1.N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(-c2ccccn2)c2ccc(Cl)cc12 |
| InChI | InChI=1S/C22H15ClF3N5O2S.2C22H20ClF3N4O2S.C22H16ClF2N5O2S.C22H21ClF2N4O2S.C21H20ClF2N5O2S/c1-13(22(24,25)26)30-34(32,33)15-6-7-18(29-12-15)21-17(11-27)16-10-14(23)5-8-19(16)31(21)20-4-2-3-9-28-20;2*1-12-8-20-16(9-18(12)23)17(10-27)21(30(20)14-4-3-5-14)19-7-6-15(11-28-19)33(31,32)29-13(2)22(24,25)26;23-14-4-7-20-17(9-14)18(12-26)22(30(20)21-3-1-2-8-27-21)19-6-5-16(13-28-19)33(31,32)29-15(10-24)11-25;1-13-7-21-17(8-19(13)23)18(11-26)22(29(21)15-3-2-4-15)20-6-5-16(12-27-20)32(30,31)28-14(9-24)10-25;1-12-5-19-16(6-18(12)22)17(9-25)20(29(19)14-3-2-4-14)21-26-10-15(11-27-21)32(30,31)28-13(7-23)8-24/h2-10,12-13,30H,1H3;2*6-9,11,13-14,29H,3-5H2,1-2H3;1-9,13,15,29H,10-11H2;5-8,12,14-15,28H,2-4,9-10H2,1H3;5-6,10-11,13-14,28H,2-4,7-8H2,1H3/t3*13-;;;/m010.../s1 |
| InChIKey | LEBLNONIXOTSEF-ZKORINJYSA-N |
| XLogP | 29.11 |
| TPSA | 565.35 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2946.60 |
| LogP ≤ 5 | 29.11 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
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Sources
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