4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide

C16H16BrClN2O3S — CID 78894571

IUPAC4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H16BrClN2O3S/c1-10-4-6-12(9-15(10)24(22,23)20(2)3)19-16(21)13-7-5-11(17)8-14(13)18/h4-9H,1-3H3,(H,19,21)
InChIKeyFOJHDJRHVONEMG-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.91
Rot. Bonds4

About 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide

4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide (PubChem CID 78894571) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
PubChem CID78894571
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H16BrClN2O3S/c1-10-4-6-12(9-15(10)24(22,23)20(2)3)19-16(21)13-7-5-11(17)8-14(13)18/h4-9H,1-3H3,(H,19,21)
InChIKeyFOJHDJRHVONEMG-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
CID 78866131
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
1-(3-chloro-4-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methylphenyl]thiourea
CID 5217438
2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide
CID 3435467
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 100537160
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide (CID 78894571) is 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The InChIKey is FOJHDJRHVONEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-10-4-6-12(9-15(10)24(22,23)20(2)3)19-16(21)13-7-5-11(17)8-14(13)18/h4-9H,1-3H3,(H,19,21).
What are the key properties of 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide has a molecular weight of 431.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 78894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).