C90H82Cl2FN23O15S6 — CID 159166577
N-[4-[6-amino-5-[(4-chlorophenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-4-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159166577) has the molecular formula C90H82Cl2FN23O15S6 and a molecular weight of 2008.10 g/mol. Its IUPAC name is N-[4-[6-amino-5-[(4-chlorophenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-4-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide.
| Compound Name | N-[4-[6-amino-5-[(4-chlorophenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-4-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide |
|---|---|
| PubChem CID | 159166577 |
| Molecular Formula | C90H82Cl2FN23O15S6 |
| Molecular Weight | 2008.10 g/mol |
| Exact Mass | 2005.40 |
| IUPAC Name | N-[4-[6-amino-5-[(4-chlorophenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(pyridin-3-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-4-fluoro-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide |
| SMILES | CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3Cl)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccsc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Cc3cccnc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(S(=O)(=O)Nc3cccnc3)c2)ccn1 |
| InChI | InChI=1S/C20H17ClFN3O3S.C18H16ClN5O3S.C18H17N5O3S.C17H16N6O3S.C17H16N4O3S2/c1-12(26)7-17-8-14(5-6-23-17)15-9-19(13(2)24-11-15)25-29(27,28)20-4-3-16(22)10-18(20)21;1-11(25)23-17-9-12(6-7-21-17)13-8-16(18(20)22-10-13)28(26,27)24-15-4-2-14(19)3-5-15;1-12(24)23-17-8-14(4-6-21-17)15-7-16(18(19)22-10-15)27(25,26)11-13-3-2-5-20-9-13;1-11(24)22-16-8-12(4-6-20-16)13-7-15(17(18)21-9-13)27(25,26)23-14-3-2-5-19-10-14;1-11-16(21-26(23,24)15-4-6-25-10-15)7-14(9-19-11)13-3-5-18-17(8-13)20-12(2)22/h3-6,8-11,25H,7H2,1-2H3;2-10,24H,1H3,(H2,20,22)(H,21,23,25);2-10H,11H2,1H3,(H2,19,22)(H,21,23,24);2-10,23H,1H3,(H2,18,21)(H,20,22,24);3-10,21H,1-2H3,(H,18,20,22) |
| InChIKey | KLDLRUUDWVGHRH-UHFFFAOYSA-N |
| XLogP | 14.52 |
| TPSA | 585.03 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2008.10 |
| LogP ≤ 5 | 14.52 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 31 |