2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide

C15H15BrN2O3S — CID 9341633

IUPAC2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-10-4-3-5-11(8-10)18-15(19)13-9-12(6-7-14(13)16)22(20,21)17-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyIPBSAKMUNMWCKU-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.92
Rot. Bonds4

About 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide

2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide (PubChem CID 9341633) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
PubChem CID9341633
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-10-4-3-5-11(8-10)18-15(19)13-9-12(6-7-14(13)16)22(20,21)17-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyIPBSAKMUNMWCKU-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
CID 26579182
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 5056641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide (CID 9341633) is 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is IPBSAKMUNMWCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-10-4-3-5-11(8-10)18-15(19)13-9-12(6-7-14(13)16)22(20,21)17-2/h3-9,17H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide?
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 383.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 9341633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).