1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

C132H97BrCl13F3N26O32S13 — CID 158715741

IUPAC1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESC/N=C(\N)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O.CC1=NS(=O)(=O)c2cc3c(cc2N1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1Cl)C3=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2.CNc1cc2c(cc1Cl)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC(F)(F)F)ccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H20Cl2N4O5S2.C22H15Cl2F3N4O5S2.C22H15Cl2N5O7S3.C22H17Cl2N5O5S2.C21H15BrCl2N4O5S2.C21H15Cl3N4O5S2/c25-18-11-16(28-24(33)29-37(34,35)22-8-7-20(26)36-22)4-6-19(18)30-21(31)10-14-9-15(27-12-13-1-2-13)3-5-17(14)23(30)32;23-15-9-13(29-21(34)30-38(35,36)19-6-5-17(24)37-19)2-4-16(15)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33;1-10-25-15-6-11-7-19(30)29(21(31)13(11)9-17(15)38(33,34)27-10)16-3-2-12(8-14(16)23)26-22(32)28-39(35,36)20-5-4-18(24)37-20;1-26-20(25)11-2-4-14-12(8-11)9-18(30)29(21(14)31)16-5-3-13(10-15(16)23)27-22(32)28-36(33,34)19-7-6-17(24)35-19;2*1-25-15-6-10-7-18(29)28(20(30)12(10)9-13(15)22)16-3-2-11(8-14(16)23)26-21(31)27-35(32,33)19-5-4-17(24)34-19/h3-9,11,13,27H,1-2,10,12H2,(H2,28,29,33);1-7,9,28H,8,10H2,(H2,29,30,34);2-6,8-9H,7H2,1H3,(H,25,27)(H2,26,28,32);2-8,10H,9H2,1H3,(H2,25,26)(H2,27,28,32);2*2-6,8-9,25H,7H2,1H3,(H2,26,27,31)
InChIKeyIJHBCSASGHEGHO-UHFFFAOYSA-N
MW3574.04 g/mol
LogP27.93
Rot. Bonds32

About 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 158715741) has the molecular formula C132H97BrCl13F3N26O32S13 and a molecular weight of 3574.04 g/mol. Its IUPAC name is 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
PubChem CID158715741
Molecular FormulaC132H97BrCl13F3N26O32S13
Molecular Weight3574.04 g/mol
Exact Mass3563.82
IUPAC Name1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESC/N=C(\N)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O.CC1=NS(=O)(=O)c2cc3c(cc2N1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1Cl)C3=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2.CNc1cc2c(cc1Cl)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC(F)(F)F)ccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H20Cl2N4O5S2.C22H15Cl2F3N4O5S2.C22H15Cl2N5O7S3.C22H17Cl2N5O5S2.C21H15BrCl2N4O5S2.C21H15Cl3N4O5S2/c25-18-11-16(28-24(33)29-37(34,35)22-8-7-20(26)36-22)4-6-19(18)30-21(31)10-14-9-15(27-12-13-1-2-13)3-5-17(14)23(30)32;23-15-9-13(29-21(34)30-38(35,36)19-6-5-17(24)37-19)2-4-16(15)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33;1-10-25-15-6-11-7-19(30)29(21(31)13(11)9-17(15)38(33,34)27-10)16-3-2-12(8-14(16)23)26-22(32)28-39(35,36)20-5-4-18(24)37-20;1-26-20(25)11-2-4-14-12(8-11)9-18(30)29(21(14)31)16-5-3-13(10-15(16)23)27-22(32)28-36(33,34)19-7-6-17(24)35-19;2*1-25-15-6-10-7-18(29)28(20(30)12(10)9-13(15)22)16-3-2-11(8-14(16)23)26-21(31)27-35(32,33)19-5-4-17(24)34-19/h3-9,11,13,27H,1-2,10,12H2,(H2,28,29,33);1-7,9,28H,8,10H2,(H2,29,30,34);2-6,8-9H,7H2,1H3,(H,25,27)(H2,26,28,32);2-8,10H,9H2,1H3,(H2,25,26)(H2,27,28,32);2*2-6,8-9,25H,7H2,1H3,(H2,26,27,31)
InChIKeyIJHBCSASGHEGHO-UHFFFAOYSA-N
XLogP27.93
TPSA820.93 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003574.04
LogP ≤ 527.93
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 158715741) is 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is C/N=C(\N)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O.CC1=NS(=O)(=O)c2cc3c(cc2N1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1Cl)C3=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2.CNc1cc2c(cc1Cl)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC(F)(F)F)ccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The InChIKey is IJHBCSASGHEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O5S2.C22H15Cl2F3N4O5S2.C22H15Cl2N5O7S3.C22H17Cl2N5O5S2.C21H15BrCl2N4O5S2.C21H15Cl3N4O5S2/c25-18-11-16(28-24(33)29-37(34,35)22-8-7-20(26)36-22)4-6-19(18)30-21(31)10-14-9-15(27-12-13-1-2-13)3-5-17(14)23(30)32;23-15-9-13(29-21(34)30-38(35,36)19-6-5-17(24)37-19)2-4-16(15)31-18(32)8-11-7-12(28-10-22(25,26)27)1-3-14(11)20(31)33;1-10-25-15-6-11-7-19(30)29(21(31)13(11)9-17(15)38(33,34)27-10)16-3-2-12(8-14(16)23)26-22(32)28-39(35,36)20-5-4-18(24)37-20;1-26-20(25)11-2-4-14-12(8-11)9-18(30)29(21(14)31)16-5-3-13(10-15(16)23)27-22(32)28-36(33,34)19-7-6-17(24)35-19;2*1-25-15-6-10-7-18(29)28(20(30)12(10)9-13(15)22)16-3-2-11(8-14(16)23)26-21(31)27-35(32,33)19-5-4-17(24)34-19/h3-9,11,13,27H,1-2,10,12H2,(H2,28,29,33);1-7,9,28H,8,10H2,(H2,29,30,34);2-6,8-9H,7H2,1H3,(H,25,27)(H2,26,28,32);2-8,10H,9H2,1H3,(H2,25,26)(H2,27,28,32);2*2-6,8-9,25H,7H2,1H3,(H2,26,27,31).
What are the key properties of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 3574.04 g/mol, XLogP of 27.93, 32 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-chlorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 158715741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).