N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide

C19H23BrN2O3S — CID 26524150

IUPACN-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C19H23BrN2O3S/c1-5-22(6-2)26(24,25)15-9-8-14(4)16(12-15)19(23)21-18-10-7-13(3)11-17(18)20/h7-12H,5-6H2,1-4H3,(H,21,23)
InChIKeyMZNWNTRJEVWEDG-UHFFFAOYSA-N
MW439.38 g/mol
LogP4.35
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 26524150) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID26524150
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC NameN-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C19H23BrN2O3S/c1-5-22(6-2)26(24,25)15-9-8-14(4)16(12-15)19(23)21-18-10-7-13(3)11-17(18)20/h7-12H,5-6H2,1-4H3,(H,21,23)
InChIKeyMZNWNTRJEVWEDG-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
5-(diethylsulfamoyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983232
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
1-(2-bromo-4-methylphenyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
CID 60542899
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 26524150) is N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is MZNWNTRJEVWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-5-22(6-2)26(24,25)15-9-8-14(4)16(12-15)19(23)21-18-10-7-13(3)11-17(18)20/h7-12H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 439.38 g/mol, XLogP of 4.35, 6 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)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 26524150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).