1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea

C110H82BrCl11F3N19O25S10 — CID 157175252

About 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea

1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea (PubChem CID 157175252) has the molecular formula C110H82BrCl11F3N19O25S10 and a molecular weight of 2917.52 g/mol. Its IUPAC name is 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea
• PubChem CID: 157175252
• Molecular Formula: C110H82BrCl11F3N19O25S10
• Molecular Weight: 2917.52 g/mol
• Exact Mass: 2908.86
• IUPAC Name: 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea
• SMILES: CCCNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C(=O)C2.CNc1cc2c(cc1Cl)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1
• InChI: InChI=1S/C24H20Cl2N4O5S2.C23H20Cl2N4O5S2.C21H15BrCl2N4O5S2.C21H15Cl3N4O5S2.C21H12Cl2F3N3O5S2/c25-19-11-21(36-22(19)26)37(34,35)29-24(33)28-15-3-6-17(7-4-15)30-20(31)10-14-9-16(27-12-13-1-2-13)5-8-18(14)23(30)32;1-2-9-26-15-5-8-17-13(10-15)11-19(30)29(22(17)31)16-6-3-14(4-7-16)27-23(32)28-36(33,34)20-12-18(24)21(25)35-20;2*1-25-16-6-10-7-17(29)28(20(30)13(10)8-14(16)22)12-4-2-11(3-5-12)26-21(31)27-35(32,33)18-9-15(23)19(24)34-18;22-15-9-17(35-18(15)23)36(33,34)28-20(32)27-12-3-5-13(6-4-12)29-16(30)7-10-1-2-11(21(24,25)26)8-14(10)19(29)31/h3-9,11,13,27H,1-2,10,12H2,(H2,28,29,33);3-8,10,12,26H,2,9,11H2,1H3,(H2,27,28,32);2*2-6,8-9,25H,7H2,1H3,(H2,26,27,31);1-6,8-9H,7H2,(H2,27,28,32)
• InChIKey: ANXWGNDTEGMPSN-UHFFFAOYSA-N
• XLogP: 25.64
• TPSA: 611.37 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2917.52
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea?

The IUPAC name of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea (CID 157175252) is 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea.

What is the SMILES notation for 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea?

The canonical SMILES for 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea is CCCNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O.CNc1cc2c(cc1Br)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C(=O)C2.CNc1cc2c(cc1Cl)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(NCC4CC4)ccc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1.

What is the InChIKey of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea?

The InChIKey is ANXWGNDTEGMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O5S2.C23H20Cl2N4O5S2.C21H15BrCl2N4O5S2.C21H15Cl3N4O5S2.C21H12Cl2F3N3O5S2/c25-19-11-21(36-22(19)26)37(34,35)29-24(33)28-15-3-6-17(7-4-15)30-20(31)10-14-9-16(27-12-13-1-2-13)5-8-18(14)23(30)32;1-2-9-26-15-5-8-17-13(10-15)11-19(30)29(22(17)31)16-6-3-14(4-7-16)27-23(32)28-36(33,34)20-12-18(24)21(25)35-20;2*1-25-16-6-10-7-17(29)28(20(30)13(10)8-14(16)22)12-4-2-11(3-5-12)26-21(31)27-35(32,33)18-9-15(23)19(24)34-18;22-15-9-17(35-18(15)23)36(33,34)28-20(32)27-12-3-5-13(6-4-12)29-16(30)7-10-1-2-11(21(24,25)26)8-14(10)19(29)31/h3-9,11,13,27H,1-2,10,12H2,(H2,28,29,33);3-8,10,12,26H,2,9,11H2,1H3,(H2,27,28,32);2*2-6,8-9,25H,7H2,1H3,(H2,26,27,31);1-6,8-9H,7H2,(H2,27,28,32).

What are the key properties of 1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea?

1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea has a molecular weight of 2917.52 g/mol, XLogP of 25.64, 28 rotatable bonds, 14 hydrogen bond donors, and 34 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]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-[4-[6-(cyclopropylmethylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-6-(propylamino)-4H-isoquinolin-2-yl]phenyl]urea;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]phenyl]urea is sourced from PubChem (CID 157175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).