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

C16H16BrClN2O3S — CID 26775018

IUPACN-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(Br)c1
InChIInChI=1S/C16H16BrClN2O3S/c1-10-4-7-14(12(17)8-10)19-16(21)11-5-6-13(18)15(9-11)24(22,23)20(2)3/h4-9H,1-3H3,(H,19,21)
InChIKeyBFLYRNYYJDNJJF-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.91
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide (PubChem CID 26775018) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
PubChem CID26775018
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC NameN-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(Br)c1
InChIInChI=1S/C16H16BrClN2O3S/c1-10-4-7-14(12(17)8-10)19-16(21)11-5-6-13(18)15(9-11)24(22,23)20(2)3/h4-9H,1-3H3,(H,19,21)
InChIKeyBFLYRNYYJDNJJF-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

4-chloro-3-(dimethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522880
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-chlorobenzamide
CID 4800375
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901716
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide (CID 26775018) is N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide?
The InChIKey is BFLYRNYYJDNJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-10-4-7-14(12(17)8-10)19-16(21)11-5-6-13(18)15(9-11)24(22,23)20(2)3/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide?
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)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 N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26775018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).