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

C90H86Cl4F3N15O12S4 — CID 157391405

IUPACN-(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
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC(C)N1.CCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCNCC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/2C24H25ClN4O3S.C22H21ClN4O3S.C20H15ClF3N3O3S/c1-16-14-29(15-17(2)27-16)33(31,32)20-9-6-18(7-10-20)24(30)28-19-8-11-22(25)21(13-19)23-5-3-4-12-26-23;1-2-28-13-15-29(16-14-28)33(31,32)20-9-6-18(7-10-20)24(30)27-19-8-11-22(25)21(17-19)23-5-3-4-12-26-23;23-20-9-6-17(15-19(20)21-3-1-2-10-25-21)26-22(28)16-4-7-18(8-5-16)31(29,30)27-13-11-24-12-14-27;21-17-9-6-14(11-16(17)18-3-1-2-10-25-18)27-19(28)13-4-7-15(8-5-13)31(29,30)26-12-20(22,23)24/h3-13,16-17,27H,14-15H2,1-2H3,(H,28,30);3-12,17H,2,13-16H2,1H3,(H,27,30);1-10,15,24H,11-14H2,(H,26,28);1-11,26H,12H2,(H,27,28)
InChIKeyBMAZLBYHGIWEJB-UHFFFAOYSA-N
MW1896.84 g/mol
LogP15.75
Rot. Bonds22

About 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

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 (PubChem CID 157391405) has the molecular formula C90H86Cl4F3N15O12S4 and a molecular weight of 1896.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157391405
Molecular FormulaC90H86Cl4F3N15O12S4
Molecular Weight1896.84 g/mol
Exact Mass1893.42
IUPAC NameN-(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
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC(C)N1.CCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCNCC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/2C24H25ClN4O3S.C22H21ClN4O3S.C20H15ClF3N3O3S/c1-16-14-29(15-17(2)27-16)33(31,32)20-9-6-18(7-10-20)24(30)28-19-8-11-22(25)21(13-19)23-5-3-4-12-26-23;1-2-28-13-15-29(16-14-28)33(31,32)20-9-6-18(7-10-20)24(30)27-19-8-11-22(25)21(17-19)23-5-3-4-12-26-23;23-20-9-6-17(15-19(20)21-3-1-2-10-25-21)26-22(28)16-4-7-18(8-5-16)31(29,30)27-13-11-24-12-14-27;21-17-9-6-14(11-16(17)18-3-1-2-10-25-18)27-19(28)13-4-7-15(8-5-13)31(29,30)26-12-20(22,23)24/h3-13,16-17,27H,14-15H2,1-2H3,(H,28,30);3-12,17H,2,13-16H2,1H3,(H,27,30);1-10,15,24H,11-14H2,(H,26,28);1-11,26H,12H2,(H,27,28)
InChIKeyBMAZLBYHGIWEJB-UHFFFAOYSA-N
XLogP15.75
TPSA353.57 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001896.84
LogP ≤ 515.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2-difluoropropylsulfamoyl)benzamide
CID 118014898
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
CID 123224550
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
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 158195392
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
CID 158294820
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
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;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 158893476
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159088662
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
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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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC(C)N1.CCN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCNCC2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 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?
The InChIKey is BMAZLBYHGIWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25ClN4O3S.C22H21ClN4O3S.C20H15ClF3N3O3S/c1-16-14-29(15-17(2)27-16)33(31,32)20-9-6-18(7-10-20)24(30)28-19-8-11-22(25)21(13-19)23-5-3-4-12-26-23;1-2-28-13-15-29(16-14-28)33(31,32)20-9-6-18(7-10-20)24(30)27-19-8-11-22(25)21(17-19)23-5-3-4-12-26-23;23-20-9-6-17(15-19(20)21-3-1-2-10-25-21)26-22(28)16-4-7-18(8-5-16)31(29,30)27-13-11-24-12-14-27;21-17-9-6-14(11-16(17)18-3-1-2-10-25-18)27-19(28)13-4-7-15(8-5-13)31(29,30)26-12-20(22,23)24/h3-13,16-17,27H,14-15H2,1-2H3,(H,28,30);3-12,17H,2,13-16H2,1H3,(H,27,30);1-10,15,24H,11-14H2,(H,26,28);1-11,26H,12H2,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 1896.84 g/mol, XLogP of 15.75, 22 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157391405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).