C84H82Cl4N14O15S5 — CID 158103776
N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158103776) has the molecular formula C84H82Cl4N14O15S5 and a molecular weight of 1829.81 g/mol. Its IUPAC name is N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.
| Compound Name | N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide |
|---|---|
| PubChem CID | 158103776 |
| Molecular Formula | C84H82Cl4N14O15S5 |
| Molecular Weight | 1829.81 g/mol |
| Exact Mass | 1826.34 |
| IUPAC Name | N-[2-(6-aminopyridine-3-carbonyl)-5-chloro-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;4-tert-butyl-N-[5-chloro-2-[6-(methylamino)pyridine-3-carbonyl]-3-pyridinyl]benzenesulfonamide;2-[3-[5-chloro-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carbonyl]phenyl]acetamide;N-(5-chloro-2-pyridin-4-ylsulfanyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide |
| SMILES | CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(N)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(CC(N)=O)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Sc2ccncc2)cc1.CNc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 |
| InChI | InChI=1S/C23H22ClN3O5S.C22H23ClN4O3S.C20H19ClN4O4S.C19H18ClN3O3S2/c1-14(2)32-18-6-8-19(9-7-18)33(30,31)27-20-12-17(24)13-26-22(20)23(29)16-5-3-4-15(10-16)11-21(25)28;1-22(2,3)15-6-8-17(9-7-15)31(29,30)27-18-11-16(23)13-26-20(18)21(28)14-5-10-19(24-4)25-12-14;1-12(2)29-15-4-6-16(7-5-15)30(27,28)25-17-9-14(21)11-24-19(17)20(26)13-3-8-18(22)23-10-13;1-13(2)26-15-3-5-17(6-4-15)28(24,25)23-18-11-14(20)12-22-19(18)27-16-7-9-21-10-8-16/h3-10,12-14,27H,11H2,1-2H3,(H2,25,28);5-13,27H,1-4H3,(H,24,25);3-12,25H,1-2H3,(H2,22,23);3-13,23H,1-2H3 |
| InChIKey | FPOWAFWTMFNLQK-UHFFFAOYSA-N |
| XLogP | 16.48 |
| TPSA | 434.95 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1829.81 |
| LogP ≤ 5 | 16.48 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |