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

C11H14BrClN2O3S — CID 114175557

IUPAC4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O3S/c1-15(2)19(17,18)6-5-14-11(16)8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyLIJRQQYKJBBDPA-UHFFFAOYSA-N
MW369.67 g/mol
LogP1.72
Rot. Bonds5

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

4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide (PubChem CID 114175557) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
PubChem CID114175557
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O3S/c1-15(2)19(17,18)6-5-14-11(16)8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyLIJRQQYKJBBDPA-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
2-[(4-bromo-3-chlorophenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335652
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide (CID 114175557) is 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide is CN(C)S(=O)(=O)CCNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The InChIKey is LIJRQQYKJBBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-15(2)19(17,18)6-5-14-11(16)8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide has a molecular weight of 369.67 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 114175557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).