C112H110Cl7N33O24S6 — CID 158263083
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine (PubChem CID 158263083) has the molecular formula C112H110Cl7N33O24S6 and a molecular weight of 2742.89 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-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;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine |
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| PubChem CID | 158263083 |
| Molecular Formula | C112H110Cl7N33O24S6 |
| Molecular Weight | 2742.89 g/mol |
| Exact Mass | 2737.45 |
| IUPAC Name | N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine |
| SMILES | CCCCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCN(CC)S(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.CCNS(=O)(=O)Nc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(Cl)cc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)NCc1ccccn1 |
| InChI | InChI=1S/C22H18Cl2N6O4S.2C19H21ClN6O4S.C18H17ClN4O4S.C17H17ClN6O4S.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;1-4-26(5-2)31(27,28)25-17-15(30-14-10-7-6-9-13(14)29-3)16(20)23-19(24-17)18-21-11-8-12-22-18;1-3-4-12-23-31(27,28)26-17-15(30-14-9-6-5-8-13(14)29-2)16(20)24-19(25-17)18-21-10-7-11-22-18;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;1-3-21-29(25,26)24-15-13(28-12-8-5-4-7-11(12)27-2)14(18)22-17(23-15)16-19-9-6-10-20-16;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);6-12H,4-5H2,1-3H3,(H,23,24,25);5-11,23H,3-4,12H2,1-2H3,(H,24,25,26);2-10,12,22H,11H2,1H3,(H,20,21,23);4-10,21H,3H2,1-2H3,(H,22,23,24);2-9,11,22H,10H2,1H3,(H,20,21,23) |
| InChIKey | GICOSBYUTSJZCO-UHFFFAOYSA-N |
| XLogP | 20.11 |
| TPSA | 721.86 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2742.89 |
| LogP ≤ 5 | 20.11 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 45 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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