3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide

C21H19BrN2O3S — CID 55577848

IUPAC3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Br)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H19BrN2O3S/c22-19-10-4-8-17(12-19)14-23-21(25)18-9-5-11-20(13-18)28(26,27)24-15-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyZMBSDTNNYZAAIM-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.86
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide

3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide (PubChem CID 55577848) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
PubChem CID55577848
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Br)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H19BrN2O3S/c22-19-10-4-8-17(12-19)14-23-21(25)18-9-5-11-20(13-18)28(26,27)24-15-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyZMBSDTNNYZAAIM-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
CID 130431453
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 55641528
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide (CID 55577848) is 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide is O=C(NCc1cccc(Br)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide?
The InChIKey is ZMBSDTNNYZAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c22-19-10-4-8-17(12-19)14-23-21(25)18-9-5-11-20(13-18)28(26,27)24-15-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide?
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide has a molecular weight of 459.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide is sourced from PubChem (CID 55577848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).