2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide

C17H19BrN2O3S — CID 9104218

IUPAC2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br
InChIInChI=1S/C17H19BrN2O3S/c1-12-6-4-5-7-13(12)11-19-17(21)15-10-14(8-9-16(15)18)24(22,23)20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyTYRNATWTOFXTGH-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.94
Rot. Bonds5

About 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide

2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 9104218) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
PubChem CID9104218
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br
InChIInChI=1S/C17H19BrN2O3S/c1-12-6-4-5-7-13(12)11-19-17(21)15-10-14(8-9-16(15)18)24(22,23)20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyTYRNATWTOFXTGH-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 8839427
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 9184405
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55692623
2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9299980
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide (CID 9104218) is 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Br.
What is the InChIKey of 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is TYRNATWTOFXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12-6-4-5-7-13(12)11-19-17(21)15-10-14(8-9-16(15)18)24(22,23)20(2)3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 411.32 g/mol, XLogP of 2.94, 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-methylphenyl)methyl]benzamide is sourced from PubChem (CID 9104218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).