C72H70Cl5N15O7S2 — CID 162022016
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole (PubChem CID 162022016) has the molecular formula C72H70Cl5N15O7S2 and a molecular weight of 1498.85 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole.
| Compound Name | 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole |
|---|---|
| PubChem CID | 162022016 |
| Molecular Formula | C72H70Cl5N15O7S2 |
| Molecular Weight | 1498.85 g/mol |
| Exact Mass | 1495.35 |
| IUPAC Name | 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;6-chloro-4-(2-methyl-4-methylsulfonylphenyl)-1H-indazole |
| SMILES | CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Cc1cc(S(C)(=O)=O)ccc1-c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12 |
| InChI | InChI=1S/C16H20ClN3O.C15H13ClN2O2S.C14H16ClN5O.C14H11ClN2O.C13H10ClN3O2S/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9-5-11(21(2,19)20)3-4-12(9)13-6-10(16)7-15-14(13)8-17-18-15;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9;14-9-5-11(12-7-16-17-13(12)6-9)8-1-3-10(4-2-8)20(15,18)19/h8-10,12H,2-7H2,1H3,(H,18,19);3-8H,1-2H3,(H,17,18);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19) |
| InChIKey | YUWGMTGAGCJGKC-UHFFFAOYSA-N |
| XLogP | 15.09 |
| TPSA | 322.61 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 101 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1498.85 |
| LogP ≤ 5 | 15.09 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 14 |