4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate

C110H76Cl10FN13O14S5 — CID 158877323

About 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate

4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate (PubChem CID 158877323) has the molecular formula C110H76Cl10FN13O14S5 and a molecular weight of 2337.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate.

Molecular Properties

• Compound Name: 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate
• PubChem CID: 158877323
• Molecular Formula: C110H76Cl10FN13O14S5
• Molecular Weight: 2337.76 g/mol
• Exact Mass: 2331.11
• IUPAC Name: 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate
• SMILES: CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)ccc1Cl.COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.O=S(=O)(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(F)cc1Cl
• InChI: InChI=1S/C23H17Cl2N3O3S.C23H16Cl2N2O4S.C22H15Cl2N3O.C21H13Cl2FN2O2S.C21H15Cl2N3O4S2/c1-14(29)27-22-13-17(7-9-21(22)25)32(30,31)28-16-6-8-20(24)19(12-16)23-18-5-3-2-4-15(18)10-11-26-23;1-31-23(28)15-6-9-21(20(25)12-15)32(29,30)27-16-7-8-19(24)18(13-16)22-17-5-3-2-4-14(17)10-11-26-22;23-19-8-6-15(27-22(28)17-7-5-14(25)11-20(17)24)12-18(19)21-16-4-2-1-3-13(16)9-10-26-21;22-18-7-6-15(26-29(27,28)20-8-5-14(24)11-19(20)23)12-17(18)21-16-4-2-1-3-13(16)9-10-25-21;22-18-7-5-14(11-17(18)21-16-4-2-1-3-13(16)9-10-25-21)26-32(29,30)20-8-6-15(12-19(20)23)31(24,27)28/h2-13,28H,1H3,(H,27,29);2-13,27H,1H3;1-12H,25H2,(H,27,28);1-12,26H;1-12,26H,(H2,24,27,28)
• InChIKey: JCPFKXNHVKXVKD-UHFFFAOYSA-N
• XLogP: 28.61
• TPSA: 419.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.76
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate?

The IUPAC name of 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate (CID 158877323) is 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate.

What is the SMILES notation for 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate?

The canonical SMILES for 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)ccc1Cl.COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.O=S(=O)(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(F)cc1Cl.

What is the InChIKey of 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate?

The InChIKey is JCPFKXNHVKXVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3S.C23H16Cl2N2O4S.C22H15Cl2N3O.C21H13Cl2FN2O2S.C21H15Cl2N3O4S2/c1-14(29)27-22-13-17(7-9-21(22)25)32(30,31)28-16-6-8-20(24)19(12-16)23-18-5-3-2-4-15(18)10-11-26-23;1-31-23(28)15-6-9-21(20(25)12-15)32(29,30)27-16-7-8-19(24)18(13-16)22-17-5-3-2-4-14(17)10-11-26-22;23-19-8-6-15(27-22(28)17-7-5-14(25)11-20(17)24)12-18(19)21-16-4-2-1-3-13(16)9-10-26-21;22-18-7-6-15(26-29(27,28)20-8-5-14(24)11-19(20)23)12-17(18)21-16-4-2-1-3-13(16)9-10-25-21;22-18-7-5-14(11-17(18)21-16-4-2-1-3-13(16)9-10-25-21)26-32(29,30)20-8-6-15(12-19(20)23)31(24,27)28/h2-13,28H,1H3,(H,27,29);2-13,27H,1H3;1-12H,25H2,(H,27,28);1-12,26H;1-12,26H,(H2,24,27,28).

What are the key properties of 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate?

4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate has a molecular weight of 2337.76 g/mol, XLogP of 28.61, 22 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-disulfonamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-fluorobenzenesulfonamide;N-[2-chloro-5-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]phenyl]acetamide;methyl 3-chloro-4-[(4-chloro-3-isoquinolin-1-ylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 158877323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).