4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide

C91H87Cl4N13O15S4 — CID 157373316

IUPAC4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C24H23ClN4O4S.C24H25ClN4O4S.C23H22ClN3O4S.C20H17ClN2O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;25-22-9-6-19(17-21(22)23-3-1-2-10-26-23)27-24(31)18-4-7-20(8-5-18)34(32,33)29-13-11-28(12-14-29)15-16-30;24-21-9-6-17(15-20(21)22-3-1-2-12-25-22)26-23(29)16-4-7-19(8-5-16)32(30,31)27-13-10-18(28)11-14-27;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19/h2-11,16H,12-15H2,1H3,(H,27,31);1-10,17,30H,11-16H2,(H,27,31);1-9,12,15,18,28H,10-11,13-14H2,(H,26,29);2-12H,13H2,1H3,(H,23,24)
InChIKeyBKADCZXQOOUHCQ-UHFFFAOYSA-N
MW1872.85 g/mol
LogP14.46
Rot. Bonds22

About 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide

4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 157373316) has the molecular formula C91H87Cl4N13O15S4 and a molecular weight of 1872.85 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID157373316
Molecular FormulaC91H87Cl4N13O15S4
Molecular Weight1872.85 g/mol
Exact Mass1869.41
IUPAC Name4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C24H23ClN4O4S.C24H25ClN4O4S.C23H22ClN3O4S.C20H17ClN2O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;25-22-9-6-19(17-21(22)23-3-1-2-10-26-23)27-24(31)18-4-7-20(8-5-18)34(32,33)29-13-11-28(12-14-29)15-16-30;24-21-9-6-17(15-20(21)22-3-1-2-12-25-22)26-23(29)16-4-7-19(8-5-16)32(30,31)27-13-10-18(28)11-14-27;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19/h2-11,16H,12-15H2,1H3,(H,27,31);1-10,17,30H,11-16H2,(H,27,31);1-9,12,15,18,28H,10-11,13-14H2,(H,26,29);2-12H,13H2,1H3,(H,23,24)
InChIKeyBKADCZXQOOUHCQ-UHFFFAOYSA-N
XLogP14.46
TPSA378.25 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001872.85
LogP ≤ 514.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157213887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157282964
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157391405
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 158303328
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 158573984
N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide
CID 159182297
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 159604811
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 159665512
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
CID 159817720
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 160351848
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 161232264
3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 161767633

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 157373316) is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is BKADCZXQOOUHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4S.C24H25ClN4O4S.C23H22ClN3O4S.C20H17ClN2O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;25-22-9-6-19(17-21(22)23-3-1-2-10-26-23)27-24(31)18-4-7-20(8-5-18)34(32,33)29-13-11-28(12-14-29)15-16-30;24-21-9-6-17(15-20(21)22-3-1-2-12-25-22)26-23(29)16-4-7-19(8-5-16)32(30,31)27-13-10-18(28)11-14-27;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19/h2-11,16H,12-15H2,1H3,(H,27,31);1-10,17,30H,11-16H2,(H,27,31);1-9,12,15,18,28H,10-11,13-14H2,(H,26,29);2-12H,13H2,1H3,(H,23,24).
What are the key properties of 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 1872.85 g/mol, XLogP of 14.46, 22 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 157373316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).