bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

C88H85Cl4N15O11S3 — CID 158258583

About bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 158258583) has the molecular formula C88H85Cl4N15O11S3 and a molecular weight of 1766.75 g/mol. Its IUPAC name is bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
• PubChem CID: 158258583
• Molecular Formula: C88H85Cl4N15O11S3
• Molecular Weight: 1766.75 g/mol
• Exact Mass: 1763.45
• IUPAC Name: bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
• SMILES: CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCn2ccnc2)nc1
• InChI: InChI=1S/C23H21ClN6O.2C22H22ClN3O3S.C21H20ClN3O4S/c24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30;2*1-2-3-14-25-30(28,29)18-10-7-16(8-11-18)22(27)26-17-9-12-20(23)19(15-17)21-6-4-5-13-24-21;1-29-13-12-24-30(27,28)17-8-5-15(6-9-17)21(26)25-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20/h1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2*4-13,15,25H,2-3,14H2,1H3,(H,26,27);2-11,14,24H,12-13H2,1H3,(H,25,26)
• InChIKey: GHPAIYRKJPFBJA-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 358.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1766.75
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?

The IUPAC name of bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 158258583) is bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

What is the SMILES notation for bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?

The canonical SMILES for bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCn2ccnc2)nc1.

What is the InChIKey of bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?

The InChIKey is GHPAIYRKJPFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O.2C22H22ClN3O3S.C21H20ClN3O4S/c24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30;2*1-2-3-14-25-30(28,29)18-10-7-16(8-11-18)22(27)26-17-9-12-20(23)19(15-17)21-6-4-5-13-24-21;1-29-13-12-24-30(27,28)17-8-5-15(6-9-17)21(26)25-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20/h1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2*4-13,15,25H,2-3,14H2,1H3,(H,26,27);2-11,14,24H,12-13H2,1H3,(H,25,26).

What are the key properties of bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?

bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 1766.75 g/mol, XLogP of 17.79, 32 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 158258583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).