N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide

C22H19BrN2O4S — CID 1356278

IUPACN-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O4S/c1-25(2)30(28,29)18-11-8-16(9-12-18)22(27)24-20-13-10-17(23)14-19(20)21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,27)
InChIKeyHZAXNEMXRRFESU-UHFFFAOYSA-N
MW487.38 g/mol
LogP4.18
Rot. Bonds6

About N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide

N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 1356278) has the molecular formula C22H19BrN2O4S and a molecular weight of 487.38 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID1356278
Molecular FormulaC22H19BrN2O4S
Molecular Weight487.38 g/mol
Exact Mass486.02
IUPAC NameN-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O4S/c1-25(2)30(28,29)18-11-8-16(9-12-18)22(27)24-20-13-10-17(23)14-19(20)21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,27)
InChIKeyHZAXNEMXRRFESU-UHFFFAOYSA-N
XLogP4.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 23847974
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 23878524
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2711561
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
4-(dimethylsulfamoyl)-N-(4-hydroxynaphthalen-1-yl)benzamide
CID 17460385
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 113092963

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide (CID 1356278) is N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is HZAXNEMXRRFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4S/c1-25(2)30(28,29)18-11-8-16(9-12-18)22(27)24-20-13-10-17(23)14-19(20)21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide?
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 487.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 1356278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).