C98H86Cl6N28O21S5 — CID 158473476
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine (PubChem CID 158473476) has the molecular formula C98H86Cl6N28O21S5 and a molecular weight of 2364.99 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine.
| Compound Name | N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine |
|---|---|
| PubChem CID | 158473476 |
| Molecular Formula | C98H86Cl6N28O21S5 |
| Molecular Weight | 2364.99 g/mol |
| Exact Mass | 2360.33 |
| IUPAC Name | N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(furan-2-ylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine |
| SMILES | COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1NS(=O)(=O)NCc1ccccn1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(Cl)cc1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccco1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccn1 |
| InChI | InChI=1S/C22H18Cl2N6O4S.C21H18ClN7O4S.C20H17ClN6O5S.C18H17ClN4O4S.C17H16ClN5O4S/c1-33-16-5-2-3-6-17(16)34-18-19(24)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(23)10-8-14;1-32-16-7-2-3-8-17(16)33-18-19(22)27-20(15-13-23-10-11-25-15)28-21(18)29-34(30,31)26-12-14-6-4-5-9-24-14;1-30-14-7-2-3-8-15(14)32-16-17(21)25-20(19-22-9-5-10-23-19)26-18(16)27-33(28,29)24-12-13-6-4-11-31-13;1-26-14-9-5-6-10-15(14)27-16-17(19)20-12-21-18(16)23-28(24,25)22-11-13-7-3-2-4-8-13;1-26-13-7-2-3-8-14(13)27-15-16(18)20-11-21-17(15)23-28(24,25)22-10-12-6-4-5-9-19-12/h2-12,27H,13H2,1H3,(H,28,29,30);2-11,13,26H,12H2,1H3,(H,27,28,29);2-11,24H,12H2,1H3,(H,25,26,27);2-10,12,22H,11H2,1H3,(H,20,21,23);2-9,11,22H,10H2,1H3,(H,20,21,23) |
| InChIKey | HGQFQIVJWDFLBO-UHFFFAOYSA-N |
| XLogP | 17.29 |
| TPSA | 628.46 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2364.99 |
| LogP ≤ 5 | 17.29 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 39 |