N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate

C85H81Cl4N13O15S3 — CID 157307297

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate (PubChem CID 157307297) has the molecular formula C85H81Cl4N13O15S3 and a molecular weight of 1762.67 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate.

Molecular Properties

• Compound Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate
• PubChem CID: 157307297
• Molecular Formula: C85H81Cl4N13O15S3
• Molecular Weight: 1762.67 g/mol
• Exact Mass: 1759.39
• IUPAC Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate
• SMILES: COC(=O)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C22H20ClN3O5S.C21H21ClN4O2.2C21H20ClN3O4S/c1-31-21(27)11-13-25-32(29,30)17-8-5-15(6-9-17)22(28)26-16-7-10-19(23)18(14-16)20-4-2-3-12-24-20;1-14-16(7-9-20(25-14)24-11-12-28-2)21(27)26-15-6-8-18(22)17(13-15)19-5-3-4-10-23-19;1-14(26)13-24-30(28,29)17-8-5-15(6-9-17)21(27)25-16-7-10-19(22)18(12-16)20-4-2-3-11-23-20;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/h2-10,12,14,25H,11,13H2,1H3,(H,26,28);3-10,13H,11-12H2,1-2H3,(H,24,25)(H,26,27);2-12,14,24,26H,13H2,1H3,(H,25,27);2-11,14,24H,12-13H2,1H3,(H,25,26)/t;;14-;/m..0./s1
• InChIKey: BCQBORLZXOFELL-WDTXHIPTSA-N
• XLogP: 14.80
• TPSA: 396.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1762.67
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate?

The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate (CID 157307297) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate.

What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate?

The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.

What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate?

The InChIKey is BCQBORLZXOFELL-WDTXHIPTSA-N. The full InChI is InChI=1S/C22H20ClN3O5S.C21H21ClN4O2.2C21H20ClN3O4S/c1-31-21(27)11-13-25-32(29,30)17-8-5-15(6-9-17)22(28)26-16-7-10-19(23)18(14-16)20-4-2-3-12-24-20;1-14-16(7-9-20(25-14)24-11-12-28-2)21(27)26-15-6-8-18(22)17(13-15)19-5-3-4-10-23-19;1-14(26)13-24-30(28,29)17-8-5-15(6-9-17)21(27)25-16-7-10-19(22)18(12-16)20-4-2-3-11-23-20;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/h2-10,12,14,25H,11,13H2,1H3,(H,26,28);3-10,13H,11-12H2,1-2H3,(H,24,25)(H,26,27);2-12,14,24,26H,13H2,1H3,(H,25,27);2-11,14,24H,12-13H2,1H3,(H,25,26)/t;;14-;/m..0./s1.

What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate?

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate has a molecular weight of 1762.67 g/mol, XLogP of 14.80, 30 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide;methyl 3-[[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 157307297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).