C240H166BrCl25F4N54O53S27 — CID 157075109
1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-chloro-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[5-chloro-6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 157075109) has the molecular formula C240H166BrCl25F4N54O53S27 and a molecular weight of 6562.32 g/mol. Its IUPAC name is 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-chloro-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[5-chloro-6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.
| Compound Name | 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-chloro-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[5-chloro-6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea |
|---|---|
| PubChem CID | 157075109 |
| Molecular Formula | C240H166BrCl25F4N54O53S27 |
| Molecular Weight | 6562.32 g/mol |
| Exact Mass | 6543.57 |
| IUPAC Name | 1-[4-(6-aminoperoxysulfanyl-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-bromo-4-oxoquinazolin-3-yl)-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-chloro-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(dimethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[5-chloro-6-(6-fluoro-4-oxoquinazolin-3-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(6-methylsulfanyl-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(4-oxo-7-pyrrolidin-1-ylquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea |
| SMILES | CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CN(C)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cnc2c1.COOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.COc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.CSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.NOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c2c1.O=C(Nc1ccc(-n2cnc3cc(N4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Br)cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(C(F)(F)F)cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3ccc(Cl)cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1cnc(-n2cnc3ccc(F)cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1 |
| InChI | InChI=1S/C23H19Cl2N5O4S2.2C21H17Cl2N5O4S2.C20H11Cl2F3N4O4S2.C20H15Cl2N5O4S2.C20H14Cl2N4O6S3.C20H14Cl2N4O5S2.C20H14Cl2N4O4S3.C19H11BrCl2N4O4S2.C19H11Cl3N4O4S2.C19H13Cl2N5O6S3.C18H10Cl2FN5O4S2/c24-17-11-14(27-23(32)28-36(33,34)21-8-7-20(25)35-21)3-6-19(17)30-13-26-18-12-15(29-9-1-2-10-29)4-5-16(18)22(30)31;1-27(2)13-4-5-14-16(10-13)24-11-28(20(14)29)17-6-3-12(9-15(17)22)25-21(30)26-34(31,32)19-8-7-18(23)33-19;1-2-24-12-3-5-14-16(10-12)25-11-28(20(14)29)17-6-4-13(9-15(17)22)26-21(30)27-34(31,32)19-8-7-18(23)33-19;21-13-8-11(27-19(31)28-35(32,33)17-6-5-16(22)34-17)2-4-15(13)29-9-26-14-3-1-10(20(23,24)25)7-12(14)18(29)30;1-23-11-2-4-13-15(9-11)24-10-27(19(13)28)16-5-3-12(8-14(16)21)25-20(29)26-33(30,31)18-7-6-17(22)32-18;1-31-32-34-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)21)24-20(28)25-35(29,30)18-7-6-17(22)33-18;2*1-31-12-3-4-15-13(9-12)19(27)26(10-23-15)16-5-2-11(8-14(16)21)24-20(28)25-33(29,30)18-7-6-17(22)32-18;2*20-10-1-3-14-12(7-10)18(27)26(9-23-14)15-4-2-11(8-13(15)21)24-19(28)25-32(29,30)17-6-5-16(22)31-17;20-13-7-10(24-19(28)25-35(29,30)17-6-5-16(21)33-17)1-4-15(13)26-9-23-14-3-2-11(34-32-31-22)8-12(14)18(26)27;19-12-6-10(24-18(28)25-32(29,30)15-4-3-14(20)31-15)7-22-16(12)26-8-23-13-2-1-9(21)5-11(13)17(26)27/h3-8,11-13H,1-2,9-10H2,(H2,27,28,32);3-11H,1-2H3,(H2,25,26,30);3-11,24H,2H2,1H3,(H2,26,27,30);1-9H,(H2,27,28,31);2-10,23H,1H3,(H2,25,26,29);2-10H,1H3,(H2,24,25,28);2*2-10H,1H3,(H2,24,25,28);2*1-9H,(H2,24,25,28);1-9H,22H2,(H2,24,25,28);1-8H,(H2,24,25,28) |
| InChIKey | ACWOKAGBHURIAA-UHFFFAOYSA-N |
| XLogP | 55.43 |
| TPSA | 1437.52 Ų |
| H-Bond Donors | 27 |
| H-Bond Acceptors | 98 |
| Rotatable Bonds | 61 |
| Heavy Atoms | 404 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6562.32 |
| LogP ≤ 5 | 55.43 |
| H-Bond Donors ≤ 5 | 27 |
| H-Bond Acceptors ≤ 10 | 98 |