4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide

C11H15BrN2O3S — CID 43011499

IUPAC4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H15BrN2O3S/c1-13(2)11(15)8-5-6-9(12)10(7-8)18(16,17)14(3)4/h5-7H,1-4H3
InChIKeyAUNHKHBFUFAIPI-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.40
Rot. Bonds3

About 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide

4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide (PubChem CID 43011499) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
PubChem CID43011499
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H15BrN2O3S/c1-13(2)11(15)8-5-6-9(12)10(7-8)18(16,17)14(3)4/h5-7H,1-4H3
InChIKeyAUNHKHBFUFAIPI-UHFFFAOYSA-N
XLogP1.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 55594278
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9476078
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
2-oxopropyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 7975289
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 60607346
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide (CID 43011499) is 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide?
The InChIKey is AUNHKHBFUFAIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-13(2)11(15)8-5-6-9(12)10(7-8)18(16,17)14(3)4/h5-7H,1-4H3.
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide?
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide has a molecular weight of 335.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 43011499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).