2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide

C17H19BrN2O3S — CID 8839427

IUPAC2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br
InChIInChI=1S/C17H19BrN2O3S/c1-4-12-7-5-6-8-16(12)19-17(21)14-11-13(9-10-15(14)18)24(22,23)20(2)3/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyZHFSWKJBDNRWGF-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.51
Rot. Bonds5

About 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide

2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide (PubChem CID 8839427) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
PubChem CID8839427
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br
InChIInChI=1S/C17H19BrN2O3S/c1-4-12-7-5-6-8-16(12)19-17(21)14-11-13(9-10-15(14)18)24(22,23)20(2)3/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyZHFSWKJBDNRWGF-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
CID 26515577
2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9299980
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55642916
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55603942
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide?
The IUPAC name of 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide (CID 8839427) is 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br.
What is the InChIKey of 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide?
The InChIKey is ZHFSWKJBDNRWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-4-12-7-5-6-8-16(12)19-17(21)14-11-13(9-10-15(14)18)24(22,23)20(2)3/h5-11H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide?
2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 8839427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).