N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide

C83H75Cl4N15O11S2 — CID 159642169

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOCCNc1ccc(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.C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H21ClN4O2.2C21H20ClN3O4S.C20H14ClN5O/c1-14-16(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;2*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;21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h3-10,13H,11-12H2,1-2H3,(H,24,25)(H,26,27);2*2-12,14,24,26H,13H2,1H3,(H,25,27);1-13H,(H,25,27)/t;2*14-;/m.10./s1
InChIKeyMQMNKGYMGJJXAS-JZFVKLSFSA-N
MW1664.55 g/mol
LogP15.28
Rot. Bonds25

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 159642169) has the molecular formula C83H75Cl4N15O11S2 and a molecular weight of 1664.55 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)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID159642169
Molecular FormulaC83H75Cl4N15O11S2
Molecular Weight1664.55 g/mol
Exact Mass1661.40
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOCCNc1ccc(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.C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H21ClN4O2.2C21H20ClN3O4S.C20H14ClN5O/c1-14-16(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;2*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;21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h3-10,13H,11-12H2,1-2H3,(H,24,25)(H,26,27);2*2-12,14,24,26H,13H2,1H3,(H,25,27);1-13H,(H,25,27)/t;2*14-;/m.10./s1
InChIKeyMQMNKGYMGJJXAS-JZFVKLSFSA-N
XLogP15.28
TPSA365.62 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms115
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001664.55
LogP ≤ 515.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide with MolForge

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Related Compounds

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)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide (CID 159642169) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide.
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)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide is 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.C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1.
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)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is MQMNKGYMGJJXAS-JZFVKLSFSA-N. The full InChI is InChI=1S/C21H21ClN4O2.2C21H20ClN3O4S.C20H14ClN5O/c1-14-16(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;2*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;21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h3-10,13H,11-12H2,1-2H3,(H,24,25)(H,26,27);2*2-12,14,24,26H,13H2,1H3,(H,25,27);1-13H,(H,25,27)/t;2*14-;/m.10./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)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2S)-2-hydroxypropyl]sulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 1664.55 g/mol, XLogP of 15.28, 25 rotatable bonds, 9 hydrogen bond donors, and 20 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)-4-[[(2R)-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)-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 159642169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).