C125H110Cl6F7N17O31S9 — CID 161018504
N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 161018504) has the molecular formula C125H110Cl6F7N17O31S9 and a molecular weight of 2980.65 g/mol. Its IUPAC name is N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide.
| Compound Name | N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 161018504 |
| Molecular Formula | C125H110Cl6F7N17O31S9 |
| Molecular Weight | 2980.65 g/mol |
| Exact Mass | 2975.31 |
| IUPAC Name | N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(3-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-(4-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[3-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide |
| SMILES | CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(S(C)(=O)=O)cc3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3cccc(OC(F)(F)F)c3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3cccc(S(C)(=O)=O)c3)nc2)c(Cl)c1.CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3S(C)(=O)=O)nc2)c(Cl)c1.CS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c(Cl)c1 |
| InChI | InChI=1S/2C21H17ClF3N3O5S.3C21H20ClN3O6S2.C20H16ClFN2O3S/c1-26-34(30,31)17-8-2-13(18(22)10-17)11-28-20(29)14-3-9-19(27-12-14)32-15-4-6-16(7-5-15)33-21(23,24)25;1-26-34(30,31)17-7-5-13(18(22)10-17)11-28-20(29)14-6-8-19(27-12-14)32-15-3-2-4-16(9-15)33-21(23,24)25;1-23-33(29,30)18-7-3-14(19(22)11-18)12-25-21(26)15-4-10-20(24-13-15)31-16-5-8-17(9-6-16)32(2,27)28;1-23-33(29,30)18-8-6-14(19(22)11-18)12-25-21(26)15-7-9-20(24-13-15)31-16-4-3-5-17(10-16)32(2,27)28;1-23-33(29,30)16-9-7-14(17(22)11-16)12-25-21(26)15-8-10-20(24-13-15)31-18-5-3-4-6-19(18)32(2,27)28;1-28(26,27)17-8-4-14(18(21)10-17)11-24-20(25)15-5-9-19(23-12-15)13-2-6-16(22)7-3-13/h2*2-10,12,26H,11H2,1H3,(H,28,29);3*3-11,13,23H,12H2,1-2H3,(H,25,26);2-10,12H,11H2,1H3,(H,24,25) |
| InChIKey | TYAVIKINOQZUND-UHFFFAOYSA-N |
| XLogP | 20.71 |
| TPSA | 683.96 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2980.65 |
| LogP ≤ 5 | 20.71 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 37 |