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

C66H43Cl5F3N9O9S3 — CID 158195392

IUPAC2-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
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/2C22H15Cl2N3O3S.C22H13ClF3N3O3S/c1-31(29,30)14-7-8-15(18(24)11-14)22(28)26-13-6-9-17(23)16(10-13)21-12-25-19-4-2-3-5-20(19)27-21;1-31(29,30)14-7-9-18(24)16(11-14)22(28)26-13-6-8-17(23)15(10-13)21-12-25-19-4-2-3-5-20(19)27-21;23-17-10-7-14(11-16(17)20-12-27-18-3-1-2-4-19(18)29-20)28-21(30)13-5-8-15(9-6-13)33(31,32)22(24,25)26/h2*2-12H,1H3,(H,26,28);1-12H,(H,28,30)
InChIKeyGAGWTPBHCWLYIY-UHFFFAOYSA-N
MW1436.58 g/mol
LogP16.01
Rot. Bonds12

About 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

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 (PubChem CID 158195392) has the molecular formula C66H43Cl5F3N9O9S3 and a molecular weight of 1436.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158195392
Molecular FormulaC66H43Cl5F3N9O9S3
Molecular Weight1436.58 g/mol
Exact Mass1433.07
IUPAC Name2-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
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/2C22H15Cl2N3O3S.C22H13ClF3N3O3S/c1-31(29,30)14-7-8-15(18(24)11-14)22(28)26-13-6-9-17(23)16(10-13)21-12-25-19-4-2-3-5-20(19)27-21;1-31(29,30)14-7-9-18(24)16(11-14)22(28)26-13-6-8-17(23)15(10-13)21-12-25-19-4-2-3-5-20(19)27-21;23-17-10-7-14(11-16(17)20-12-27-18-3-1-2-4-19(18)29-20)28-21(30)13-5-8-15(9-6-13)33(31,32)22(24,25)26/h2*2-12H,1H3,(H,26,28);1-12H,(H,28,30)
InChIKeyGAGWTPBHCWLYIY-UHFFFAOYSA-N
XLogP16.01
TPSA267.06 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.58
LogP ≤ 516.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 59826541
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
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;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
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
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
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 159933061
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-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160138150

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3cnc4ccccc4n3)c2)c1.O=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 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?
The InChIKey is GAGWTPBHCWLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15Cl2N3O3S.C22H13ClF3N3O3S/c1-31(29,30)14-7-8-15(18(24)11-14)22(28)26-13-6-9-17(23)16(10-13)21-12-25-19-4-2-3-5-20(19)27-21;1-31(29,30)14-7-9-18(24)16(11-14)22(28)26-13-6-8-17(23)15(10-13)21-12-25-19-4-2-3-5-20(19)27-21;23-17-10-7-14(11-16(17)20-12-27-18-3-1-2-4-19(18)29-20)28-21(30)13-5-8-15(9-6-13)33(31,32)22(24,25)26/h2*2-12H,1H3,(H,26,28);1-12H,(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 1436.58 g/mol, XLogP of 16.01, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158195392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).