3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide

C21H20BrN3O3S — CID 31399135

IUPAC3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NCCc3cccnc3)c2)c1
InChIInChI=1S/C21H20BrN3O3S/c1-15-7-8-19(22)20(12-15)25-29(27,28)18-6-2-5-17(13-18)21(26)24-11-9-16-4-3-10-23-14-16/h2-8,10,12-14,25H,9,11H2,1H3,(H,24,26)
InChIKeyAGRJMODFNXPPDE-UHFFFAOYSA-N
MW474.38 g/mol
LogP3.93
Rot. Bonds7

About 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 31399135) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID31399135
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NCCc3cccnc3)c2)c1
InChIInChI=1S/C21H20BrN3O3S/c1-15-7-8-19(22)20(12-15)25-29(27,28)18-6-2-5-17(13-18)21(26)24-11-9-16-4-3-10-23-14-16/h2-8,10,12-14,25H,9,11H2,1H3,(H,24,26)
InChIKeyAGRJMODFNXPPDE-UHFFFAOYSA-N
XLogP3.93
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
CID 43007132
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 24661271
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60519873
N-(2-bromo-5-methylphenyl)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24536114

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide (CID 31399135) is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide is Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NCCc3cccnc3)c2)c1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is AGRJMODFNXPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-15-7-8-19(22)20(12-15)25-29(27,28)18-6-2-5-17(13-18)21(26)24-11-9-16-4-3-10-23-14-16/h2-8,10,12-14,25H,9,11H2,1H3,(H,24,26).
What are the key properties of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide?
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 474.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 31399135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).