C116H95FN20O17S4 — CID 159362447
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2,2-dimethyl-5-oxooxolane-3-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;4-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]benzoic acid;N-(3-phenyl-1H-indazol-5-yl)methanesulfonamide (PubChem CID 159362447) has the molecular formula C116H95FN20O17S4 and a molecular weight of 2188.42 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2,2-dimethyl-5-oxooxolane-3-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;4-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]benzoic acid;N-(3-phenyl-1H-indazol-5-yl)methanesulfonamide.
| Compound Name | N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2,2-dimethyl-5-oxooxolane-3-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;4-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]benzoic acid;N-(3-phenyl-1H-indazol-5-yl)methanesulfonamide |
|---|---|
| PubChem CID | 159362447 |
| Molecular Formula | C116H95FN20O17S4 |
| Molecular Weight | 2188.42 g/mol |
| Exact Mass | 2186.61 |
| IUPAC Name | N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2,2-dimethyl-5-oxooxolane-3-carboxamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;4-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]benzoic acid;N-(3-phenyl-1H-indazol-5-yl)methanesulfonamide |
| SMILES | CC1(C)OC(=O)CC1C(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1)C1CCCO1.O=C(O)c1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(F)c4)c3c2)cc1.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)N1.O=C1CC[C@H](C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)N1 |
| InChI | InChI=1S/C22H19N3O4.C20H14FN3O4S.2C20H16N4O2S.C20H17N3O3.C14H13N3O2S/c1-22(2)15(11-19(26)29-22)21(27)23-13-7-8-16-14(10-13)20(25-24-16)18-9-12-5-3-4-6-17(12)28-18;21-14-3-1-2-13(10-14)19-17-11-15(6-9-18(17)22-23-19)24-29(27,28)16-7-4-12(5-8-16)20(25)26;2*25-18-8-7-15(22-18)20(26)21-12-5-6-14-13(10-12)19(24-23-14)17-9-11-3-1-2-4-16(11)27-17;24-20(17-6-3-9-25-17)21-13-7-8-15-14(11-13)19(23-22-15)18-10-12-4-1-2-5-16(12)26-18;1-20(18,19)17-11-7-8-13-12(9-11)14(16-15-13)10-5-3-2-4-6-10/h3-10,15H,11H2,1-2H3,(H,23,27)(H,24,25);1-11,24H,(H,22,23)(H,25,26);2*1-6,9-10,15H,7-8H2,(H,21,26)(H,22,25)(H,23,24);1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,21,24)(H,22,23);2-9,17H,1H3,(H,15,16)/t;;2*15-;;/m..10../s1 |
| InChIKey | LISBFXYUZYVYCM-YUOPEDRHSA-N |
| XLogP | 22.14 |
| TPSA | 538.13 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2188.42 |
| LogP ≤ 5 | 22.14 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 24 |