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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide

C88H83Cl4N15O12S3 — CID 159318531

IUPAC4-(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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide
SMILESCC(=O)CCNS(=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
InChIInChI=1S/C23H21ClN6O.C22H20ClN3O4S.C22H22ClN3O3S.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;1-15(27)11-13-25-31(29,30)18-8-5-16(6-9-18)22(28)26-17-7-10-20(23)19(14-17)21-4-2-3-12-24-21;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);2-10,12,14,25H,11,13H2,1H3,(H,26,28);4-13,15,25H,2-3,14H2,1H3,(H,26,27);2-11,14,24H,12-13H2,1H3,(H,25,26)
InChIKeyLDLOAWULOVDQHA-UHFFFAOYSA-N
MW1780.74 g/mol
LogP16.97
Rot. Bonds32

About 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide

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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide (PubChem CID 159318531) has the molecular formula C88H83Cl4N15O12S3 and a molecular weight of 1780.74 g/mol. Its IUPAC name is 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-(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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide
PubChem CID159318531
Molecular FormulaC88H83Cl4N15O12S3
Molecular Weight1780.74 g/mol
Exact Mass1777.43
IUPAC Name4-(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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide
SMILESCC(=O)CCNS(=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
InChIInChI=1S/C23H21ClN6O.C22H20ClN3O4S.C22H22ClN3O3S.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;1-15(27)11-13-25-31(29,30)18-8-5-16(6-9-18)22(28)26-17-7-10-20(23)19(14-17)21-4-2-3-12-24-21;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);2-10,12,14,25H,11,13H2,1H3,(H,26,28);4-13,15,25H,2-3,14H2,1H3,(H,26,27);2-11,14,24H,12-13H2,1H3,(H,25,26)
InChIKeyLDLOAWULOVDQHA-UHFFFAOYSA-N
XLogP16.97
TPSA375.51 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001780.74
LogP ≤ 516.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide with MolForge

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 157269289
6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 159509894
6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 159716684
2-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 160498604
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide
CID 160851235
2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 161982891
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162000054
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylsulfamoyl)benzamide;ethane
CID 143198935
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 157099576
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[[(2S)-2-hydroxypropyl]amino]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-methylpyridine-3-carboxamide
CID 157122668
4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 157221457
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzenesulfonamide
CID 157275576

Frequently Asked Questions

What is the IUPAC name of 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide?
The IUPAC name of 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide (CID 159318531) is 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide.
What is the SMILES notation for 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide?
The canonical SMILES for 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide is CC(=O)CCNS(=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 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide?
The InChIKey is LDLOAWULOVDQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O.C22H20ClN3O4S.C22H22ClN3O3S.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;1-15(27)11-13-25-31(29,30)18-8-5-16(6-9-18)22(28)26-17-7-10-20(23)19(14-17)21-4-2-3-12-24-21;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);2-10,12,14,25H,11,13H2,1H3,(H,26,28);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 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide?
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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide has a molecular weight of 1780.74 g/mol, XLogP of 16.97, 32 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-oxobutylsulfamoyl)benzamide is sourced from PubChem (CID 159318531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).