3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide

C22H21BrN2O3S — CID 5095159

IUPAC3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(Br)c3)cc2)c(C)c1
InChIInChI=1S/C22H21BrN2O3S/c1-14-4-11-21(16(3)12-14)25-29(27,28)19-9-7-18(8-10-19)24-22(26)17-6-5-15(2)20(23)13-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyXKODYVIAFUDJFL-UHFFFAOYSA-N
MW473.39 g/mol
LogP5.43
Rot. Bonds5

About 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide

3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide (PubChem CID 5095159) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
PubChem CID5095159
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC Name3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(Br)c3)cc2)c(C)c1
InChIInChI=1S/C22H21BrN2O3S/c1-14-4-11-21(16(3)12-14)25-29(27,28)19-9-7-18(8-10-19)24-22(26)17-6-5-15(2)20(23)13-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyXKODYVIAFUDJFL-UHFFFAOYSA-N
XLogP5.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.39
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
3-bromo-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54791735
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide (CID 5095159) is 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(Br)c3)cc2)c(C)c1.
What is the InChIKey of 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The InChIKey is XKODYVIAFUDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c1-14-4-11-21(16(3)12-14)25-29(27,28)19-9-7-18(8-10-19)24-22(26)17-6-5-15(2)20(23)13-17/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide has a molecular weight of 473.39 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 5095159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).