N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide

C26H18BrClN2O4S — CID 121041083

IUPACN-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H18BrClN2O4S/c27-18-10-15-23(22(16-18)25(31)17-6-2-1-3-7-17)29-26(32)21-8-4-5-9-24(21)30-35(33,34)20-13-11-19(28)12-14-20/h1-16,30H,(H,29,32)
InChIKeyXJSLVERZQUDUHK-UHFFFAOYSA-N
MW569.86 g/mol
LogP6.39
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide

N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 121041083) has the molecular formula C26H18BrClN2O4S and a molecular weight of 569.86 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID121041083
Molecular FormulaC26H18BrClN2O4S
Molecular Weight569.86 g/mol
Exact Mass567.99
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H18BrClN2O4S/c27-18-10-15-23(22(16-18)25(31)17-6-2-1-3-7-17)29-26(32)21-8-4-5-9-24(21)30-35(33,34)20-13-11-19(28)12-14-20/h1-16,30H,(H,29,32)
InChIKeyXJSLVERZQUDUHK-UHFFFAOYSA-N
XLogP6.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.86
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 121041083) is N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is XJSLVERZQUDUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrClN2O4S/c27-18-10-15-23(22(16-18)25(31)17-6-2-1-3-7-17)29-26(32)21-8-4-5-9-24(21)30-35(33,34)20-13-11-19(28)12-14-20/h1-16,30H,(H,29,32).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide?
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 569.86 g/mol, XLogP of 6.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121041083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).