1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea

C102H68Cl7F5N16O26S10 — CID 161199066

About 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea

1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea (PubChem CID 161199066) has the molecular formula C102H68Cl7F5N16O26S10 and a molecular weight of 2597.58 g/mol. Its IUPAC name is 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea
• PubChem CID: 161199066
• Molecular Formula: C102H68Cl7F5N16O26S10
• Molecular Weight: 2597.58 g/mol
• Exact Mass: 2591.94
• IUPAC Name: 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea
• SMILES: CNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Cl)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C21H16ClFN4O5S2.C21H15ClFN3O6S2.2C20H12Cl2FN3O5S2.C20H13ClFN3O5S2/c1-24-12-2-4-14-11(8-12)9-18(28)27(20(14)29)16-5-3-13(10-15(16)23)25-21(30)26-34(31,32)19-7-6-17(22)33-19;1-32-13-3-4-14-11(8-13)9-18(27)26(20(14)28)16-5-2-12(10-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;21-11-1-3-13-10(7-11)8-17(27)26(19(13)28)15-4-2-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;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;21-16-7-8-18(31-16)32(29,30)24-20(28)23-12-5-6-15(14(22)10-12)25-17(26)9-11-3-1-2-4-13(11)19(25)27/h2-8,10,24H,9H2,1H3,(H2,25,26,30);2-8,10H,9H2,1H3,(H2,24,25,29);1-7,9H,8H2,(H2,24,25,29);1-6,8-9H,7H2,(H2,24,25,29);1-8,10H,9H2,(H2,23,24,28)
• InChIKey: UUSUZOVUJGCCJN-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 584.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.58
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea?

The IUPAC name of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea (CID 161199066) is 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea.

What is the SMILES notation for 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea?

The canonical SMILES for 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea is CNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Cl)cc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea?

The InChIKey is UUSUZOVUJGCCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O5S2.C21H15ClFN3O6S2.2C20H12Cl2FN3O5S2.C20H13ClFN3O5S2/c1-24-12-2-4-14-11(8-12)9-18(28)27(20(14)29)16-5-3-13(10-15(16)23)25-21(30)26-34(31,32)19-7-6-17(22)33-19;1-32-13-3-4-14-11(8-13)9-18(27)26(20(14)28)16-5-2-12(10-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;21-11-1-3-13-10(7-11)8-17(27)26(19(13)28)15-4-2-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;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;21-16-7-8-18(31-16)32(29,30)24-20(28)23-12-5-6-15(14(22)10-12)25-17(26)9-11-3-1-2-4-13(11)19(25)27/h2-8,10,24H,9H2,1H3,(H2,25,26,30);2-8,10H,9H2,1H3,(H2,24,25,29);1-7,9H,8H2,(H2,24,25,29);1-6,8-9H,7H2,(H2,24,25,29);1-8,10H,9H2,(H2,23,24,28).

What are the key properties of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea?

1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea has a molecular weight of 2597.58 g/mol, XLogP of 20.26, 22 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(7-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea is sourced from PubChem (CID 161199066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).