C122H107F9N20O22S4 — CID 158326059
4-[4-(benzenesulfonamido)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(3-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 158326059) has the molecular formula C122H107F9N20O22S4 and a molecular weight of 2504.57 g/mol. Its IUPAC name is 4-[4-(benzenesulfonamido)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(3-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide.
| Compound Name | 4-[4-(benzenesulfonamido)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(3-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158326059 |
| Molecular Formula | C122H107F9N20O22S4 |
| Molecular Weight | 2504.57 g/mol |
| Exact Mass | 2502.66 |
| IUPAC Name | 4-[4-(benzenesulfonamido)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[(3-methylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3F)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3cccc(C)c3)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccccc3)c(F)c2)ccn1 |
| InChI | InChI=1S/C21H17F4N3O4S.C21H19FN4O3.C21H20N4O3.C20H17F2N3O4S.C20H18FN3O4S.C19H16FN3O4S/c1-12-3-5-15(11-16(12)21(23,24)25)33(30,31)28-18-6-4-13(9-17(18)22)32-14-7-8-27-19(10-14)20(29)26-2;1-13-3-8-17(22)18(11-13)26-21(28)25-14-4-6-15(7-5-14)29-16-9-10-24-19(12-16)20(27)23-2;1-14-4-3-5-16(12-14)25-21(27)24-15-6-8-17(9-7-15)28-18-10-11-23-19(13-18)20(26)22-2;1-12-3-5-15(21)19(9-12)30(27,28)25-17-6-4-13(10-16(17)22)29-14-7-8-24-18(11-14)20(26)23-2;1-13-4-3-5-16(10-13)29(26,27)24-18-7-6-14(11-17(18)21)28-15-8-9-23-19(12-15)20(25)22-2;1-21-19(24)18-12-14(9-10-22-18)27-13-7-8-17(16(20)11-13)23-28(25,26)15-5-3-2-4-6-15/h3-11,28H,1-2H3,(H,26,29);3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-13H,1-2H3,(H,22,26)(H2,24,25,27);3-11,25H,1-2H3,(H,23,26);3-12,24H,1-2H3,(H,22,25);2-12,23H,1H3,(H,21,24) |
| InChIKey | GPKOPATVPAEAKS-UHFFFAOYSA-N |
| XLogP | 23.29 |
| TPSA | 574.26 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2504.57 |
| LogP ≤ 5 | 23.29 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |