3-bromo-4-methyl-N-methylsulfonylbenzamide

C9H10BrNO3S — CID 123841069

IUPAC3-bromo-4-methyl-N-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NS(C)(=O)=O)cc1Br
InChIInChI=1S/C9H10BrNO3S/c1-6-3-4-7(5-8(6)10)9(12)11-15(2,13)14/h3-5H,1-2H3,(H,11,12)
InChIKeyOHTHCGFYDMKXDK-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.45
Rot. Bonds2

About 3-bromo-4-methyl-N-methylsulfonylbenzamide

3-bromo-4-methyl-N-methylsulfonylbenzamide (PubChem CID 123841069) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-methylsulfonylbenzamide
PubChem CID123841069
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name3-bromo-4-methyl-N-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NS(C)(=O)=O)cc1Br
InChIInChI=1S/C9H10BrNO3S/c1-6-3-4-7(5-8(6)10)9(12)11-15(2,13)14/h3-5H,1-2H3,(H,11,12)
InChIKeyOHTHCGFYDMKXDK-UHFFFAOYSA-N
XLogP1.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-amino-4-bromo-N-methylsulfonylbenzamide
CID 107813359
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
3-bromo-N-methylsulfonylbenzamide
CID 47269279
3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
3-bromo-N-(2,2-dimethylcyclopropyl)-4-methylbenzamide
CID 79466662
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
3-bromo-4-methylbenzenecarbothioic S-acid
CID 22745157

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 3-bromo-4-methyl-N-methylsulfonylbenzamide (CID 123841069) is 3-bromo-4-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 3-bromo-4-methyl-N-methylsulfonylbenzamide is Cc1ccc(C(=O)NS(C)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-methylsulfonylbenzamide?
The InChIKey is OHTHCGFYDMKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-6-3-4-7(5-8(6)10)9(12)11-15(2,13)14/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3-bromo-4-methyl-N-methylsulfonylbenzamide?
3-bromo-4-methyl-N-methylsulfonylbenzamide has a molecular weight of 292.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 123841069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).