1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea

C257H184BrCl12F19N42O65S26 — CID 158187785

IUPAC1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea
SMILESCCNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.CN(C)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.NOOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NC4CC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC(F)(F)F)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Br)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(F)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H20ClFN4O5S2.C23H18ClFN4O5S2.C22H15ClF4N4O5S2.2C22H18ClFN4O5S2.C21H12ClF4N3O5S2.C21H15ClFN3O7S3.C21H15ClFN3O6S2.C21H15ClFN3O5S2.C20H12BrClFN3O5S2.C20H12ClF2N3O5S2.C20H14ClFN4O7S3/c25-20-7-8-22(36-20)37(34,35)28-24(33)27-15-3-6-19(18(26)13-15)30-21(31)12-14-11-16(29-9-1-2-10-29)4-5-17(14)23(30)32;24-19-7-8-21(35-19)36(33,34)28-23(32)27-15-4-6-18(17(25)11-15)29-20(30)10-12-9-14(26-13-1-2-13)3-5-16(12)22(29)31;23-17-5-6-19(37-17)38(35,36)30-21(34)29-13-2-4-16(15(24)9-13)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33;1-27(2)14-4-5-15-12(9-14)10-19(29)28(21(15)30)17-6-3-13(11-16(17)24)25-22(31)26-35(32,33)20-8-7-18(23)34-20;1-2-25-13-3-5-15-12(9-13)10-19(29)28(21(15)30)17-6-4-14(11-16(17)24)26-22(31)27-35(32,33)20-8-7-18(23)34-20;22-16-5-6-18(35-16)36(33,34)28-20(32)27-12-3-4-15(14(23)9-12)29-17(30)7-10-1-2-11(21(24,25)26)8-13(10)19(29)31;1-32-33-35-13-4-2-11-8-18(27)26(20(28)14(11)10-13)16-5-3-12(9-15(16)23)24-21(29)25-36(30,31)19-7-6-17(22)34-19;1-32-13-4-2-11-8-18(27)26(20(28)14(11)10-13)16-5-3-12(9-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;1-11-2-3-12-9-18(27)26(20(28)14(12)8-11)16-5-4-13(10-15(16)23)24-21(29)25-33(30,31)19-7-6-17(22)32-19;21-11-2-1-10-7-17(27)26(19(28)13(10)8-11)15-4-3-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;21-16-5-6-18(32-16)33(30,31)25-20(29)24-12-3-4-15(14(23)9-12)26-17(27)7-10-1-2-11(22)8-13(10)19(26)28;21-16-5-6-18(34-16)36(30,31)25-20(29)24-11-2-4-15(14(22)8-11)26-17(27)7-10-1-3-12(35-33-32-23)9-13(10)19(26)28/h3-8,11,13H,1-2,9-10,12H2,(H2,27,28,33);3-9,11,13,26H,1-2,10H2,(H2,27,28,32);1-7,9,28H,8,10H2,(H2,29,30,34);3-9,11H,10H2,1-2H3,(H2,25,26,31);3-9,11,25H,2,10H2,1H3,(H2,26,27,31);1-6,8-9H,7H2,(H2,27,28,32);2-7,9-10H,8H2,1H3,(H2,24,25,29);2-7,9-10H,8H2,1H3,(H2,24,25,29);2-8,10H,9H2,1H3,(H2,24,25,29);2*1-6,8-9H,7H2,(H2,24,25,29);1-6,8-9H,7,23H2,(H2,24,25,29)
InChIKeyFZIXVUUJNROGNJ-UHFFFAOYSA-N
MW6600.57 g/mol
LogP50.66
Rot. Bonds63

About 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea

1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea (PubChem CID 158187785) has the molecular formula C257H184BrCl12F19N42O65S26 and a molecular weight of 6600.57 g/mol. Its IUPAC name is 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea
PubChem CID158187785
Molecular FormulaC257H184BrCl12F19N42O65S26
Molecular Weight6600.57 g/mol
Exact Mass6588.03
IUPAC Name1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea
SMILESCCNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.CN(C)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.NOOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NC4CC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC(F)(F)F)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Br)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(F)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H20ClFN4O5S2.C23H18ClFN4O5S2.C22H15ClF4N4O5S2.2C22H18ClFN4O5S2.C21H12ClF4N3O5S2.C21H15ClFN3O7S3.C21H15ClFN3O6S2.C21H15ClFN3O5S2.C20H12BrClFN3O5S2.C20H12ClF2N3O5S2.C20H14ClFN4O7S3/c25-20-7-8-22(36-20)37(34,35)28-24(33)27-15-3-6-19(18(26)13-15)30-21(31)12-14-11-16(29-9-1-2-10-29)4-5-17(14)23(30)32;24-19-7-8-21(35-19)36(33,34)28-23(32)27-15-4-6-18(17(25)11-15)29-20(30)10-12-9-14(26-13-1-2-13)3-5-16(12)22(29)31;23-17-5-6-19(37-17)38(35,36)30-21(34)29-13-2-4-16(15(24)9-13)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33;1-27(2)14-4-5-15-12(9-14)10-19(29)28(21(15)30)17-6-3-13(11-16(17)24)25-22(31)26-35(32,33)20-8-7-18(23)34-20;1-2-25-13-3-5-15-12(9-13)10-19(29)28(21(15)30)17-6-4-14(11-16(17)24)26-22(31)27-35(32,33)20-8-7-18(23)34-20;22-16-5-6-18(35-16)36(33,34)28-20(32)27-12-3-4-15(14(23)9-12)29-17(30)7-10-1-2-11(21(24,25)26)8-13(10)19(29)31;1-32-33-35-13-4-2-11-8-18(27)26(20(28)14(11)10-13)16-5-3-12(9-15(16)23)24-21(29)25-36(30,31)19-7-6-17(22)34-19;1-32-13-4-2-11-8-18(27)26(20(28)14(11)10-13)16-5-3-12(9-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;1-11-2-3-12-9-18(27)26(20(28)14(12)8-11)16-5-4-13(10-15(16)23)24-21(29)25-33(30,31)19-7-6-17(22)32-19;21-11-2-1-10-7-17(27)26(19(28)13(10)8-11)15-4-3-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;21-16-5-6-18(32-16)33(30,31)25-20(29)24-12-3-4-15(14(23)9-12)26-17(27)7-10-1-2-11(22)8-13(10)19(26)28;21-16-5-6-18(34-16)36(30,31)25-20(29)24-11-2-4-15(14(22)8-11)26-17(27)7-10-1-3-12(35-33-32-23)9-13(10)19(26)28/h3-8,11,13H,1-2,9-10,12H2,(H2,27,28,33);3-9,11,13,26H,1-2,10H2,(H2,27,28,32);1-7,9,28H,8,10H2,(H2,29,30,34);3-9,11H,10H2,1-2H3,(H2,25,26,31);3-9,11,25H,2,10H2,1H3,(H2,26,27,31);1-6,8-9H,7H2,(H2,27,28,32);2-7,9-10H,8H2,1H3,(H2,24,25,29);2-7,9-10H,8H2,1H3,(H2,24,25,29);2-8,10H,9H2,1H3,(H2,24,25,29);2*1-6,8-9H,7H2,(H2,24,25,29);1-6,8-9H,7,23H2,(H2,24,25,29)
InChIKeyFZIXVUUJNROGNJ-UHFFFAOYSA-N
XLogP50.66
TPSA1466.54 Ų
H-Bond Donors28
H-Bond Acceptors85
Rotatable Bonds63
Heavy Atoms422
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006600.57
LogP ≤ 550.66
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1085

Analyze 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea?
The IUPAC name of 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea (CID 158187785) is 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea?
The canonical SMILES for 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea is CCNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.CN(C)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.NOOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NC4CC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC(F)(F)F)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Br)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(F)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea?
The InChIKey is FZIXVUUJNROGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O5S2.C23H18ClFN4O5S2.C22H15ClF4N4O5S2.2C22H18ClFN4O5S2.C21H12ClF4N3O5S2.C21H15ClFN3O7S3.C21H15ClFN3O6S2.C21H15ClFN3O5S2.C20H12BrClFN3O5S2.C20H12ClF2N3O5S2.C20H14ClFN4O7S3/c25-20-7-8-22(36-20)37(34,35)28-24(33)27-15-3-6-19(18(26)13-15)30-21(31)12-14-11-16(29-9-1-2-10-29)4-5-17(14)23(30)32;24-19-7-8-21(35-19)36(33,34)28-23(32)27-15-4-6-18(17(25)11-15)29-20(30)10-12-9-14(26-13-1-2-13)3-5-16(12)22(29)31;23-17-5-6-19(37-17)38(35,36)30-21(34)29-13-2-4-16(15(24)9-13)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33;1-27(2)14-4-5-15-12(9-14)10-19(29)28(21(15)30)17-6-3-13(11-16(17)24)25-22(31)26-35(32,33)20-8-7-18(23)34-20;1-2-25-13-3-5-15-12(9-13)10-19(29)28(21(15)30)17-6-4-14(11-16(17)24)26-22(31)27-35(32,33)20-8-7-18(23)34-20;22-16-5-6-18(35-16)36(33,34)28-20(32)27-12-3-4-15(14(23)9-12)29-17(30)7-10-1-2-11(21(24,25)26)8-13(10)19(29)31;1-32-33-35-13-4-2-11-8-18(27)26(20(28)14(11)10-13)16-5-3-12(9-15(16)23)24-21(29)25-36(30,31)19-7-6-17(22)34-19;1-32-13-4-2-11-8-18(27)26(20(28)14(11)10-13)16-5-3-12(9-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;1-11-2-3-12-9-18(27)26(20(28)14(12)8-11)16-5-4-13(10-15(16)23)24-21(29)25-33(30,31)19-7-6-17(22)32-19;21-11-2-1-10-7-17(27)26(19(28)13(10)8-11)15-4-3-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;21-16-5-6-18(32-16)33(30,31)25-20(29)24-12-3-4-15(14(23)9-12)26-17(27)7-10-1-2-11(22)8-13(10)19(26)28;21-16-5-6-18(34-16)36(30,31)25-20(29)24-11-2-4-15(14(22)8-11)26-17(27)7-10-1-3-12(35-33-32-23)9-13(10)19(26)28/h3-8,11,13H,1-2,9-10,12H2,(H2,27,28,33);3-9,11,13,26H,1-2,10H2,(H2,27,28,32);1-7,9,28H,8,10H2,(H2,29,30,34);3-9,11H,10H2,1-2H3,(H2,25,26,31);3-9,11,25H,2,10H2,1H3,(H2,26,27,31);1-6,8-9H,7H2,(H2,27,28,32);2-7,9-10H,8H2,1H3,(H2,24,25,29);2-7,9-10H,8H2,1H3,(H2,24,25,29);2-8,10H,9H2,1H3,(H2,24,25,29);2*1-6,8-9H,7H2,(H2,24,25,29);1-6,8-9H,7,23H2,(H2,24,25,29).
What are the key properties of 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea?
1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea has a molecular weight of 6600.57 g/mol, XLogP of 50.66, 63 rotatable bonds, 28 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(dimethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(ethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(7-methylperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea is sourced from PubChem (CID 158187785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).