5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide

C21H18BrClN2O3S — CID 100536288

IUPAC5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)c(C)c1
InChIInChI=1S/C21H18BrClN2O3S/c1-13-3-10-20(14(2)11-13)25-29(27,28)17-7-5-16(6-8-17)24-21(26)18-12-15(22)4-9-19(18)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyXGPGVSFWZZLGDJ-UHFFFAOYSA-N
MW493.81 g/mol
LogP5.77
Rot. Bonds5

About 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide

5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 100536288) has the molecular formula C21H18BrClN2O3S and a molecular weight of 493.81 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID100536288
Molecular FormulaC21H18BrClN2O3S
Molecular Weight493.81 g/mol
Exact Mass491.99
IUPAC Name5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)c(C)c1
InChIInChI=1S/C21H18BrClN2O3S/c1-13-3-10-20(14(2)11-13)25-29(27,28)17-7-5-16(6-8-17)24-21(26)18-12-15(22)4-9-19(18)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyXGPGVSFWZZLGDJ-UHFFFAOYSA-N
XLogP5.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.81
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 4041023
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4841214
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-ethoxybenzamide
CID 4926353

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (CID 100536288) is 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)c(C)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is XGPGVSFWZZLGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3S/c1-13-3-10-20(14(2)11-13)25-29(27,28)17-7-5-16(6-8-17)24-21(26)18-12-15(22)4-9-19(18)23/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 493.81 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 100536288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).