C81H85Cl6N15O7S — CID 158357743
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone (PubChem CID 158357743) has the molecular formula C81H85Cl6N15O7S and a molecular weight of 1625.45 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone.
| Compound Name | 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone |
|---|---|
| PubChem CID | 158357743 |
| Molecular Formula | C81H85Cl6N15O7S |
| Molecular Weight | 1625.45 g/mol |
| Exact Mass | 1621.46 |
| IUPAC Name | 4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone |
| SMILES | CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(C)CC(O)c1cc(Cl)cc2[nH]ncc12.NS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C(c1cc(Cl)cc2[nH]ncc12)N1CCCCC1.OC(c1ccccc1)c1cc(Cl)cc2[nH]ncc12.OC1(c2cc(Cl)cc3[nH]ncc23)CCCCC1 |
| InChI | InChI=1S/C16H20ClN3O.C14H11ClN2O.C13H10ClN3O2S.C13H14ClN3O.C13H15ClN2O.C12H15ClN2O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;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;14-9-6-10(11-8-15-16-12(11)7-9)13(18)17-4-2-1-3-5-17;14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13;1-7(2)3-12(16)9-4-8(13)5-11-10(9)6-14-15-11/h8-10,12H,2-7H2,1H3,(H,18,19);1-8,14,18H,(H,16,17);1-7H,(H,16,17)(H2,15,18,19);6-8H,1-5H2,(H,15,16);6-8,17H,1-5H2,(H,15,16);4-7,12,16H,3H2,1-2H3,(H,14,15) |
| InChIKey | GTBWSKGZPKEXPI-UHFFFAOYSA-N |
| XLogP | 19.14 |
| TPSA | 333.55 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 110 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1625.45 |
| LogP ≤ 5 | 19.14 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 14 |