4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide

C20H14BrN3O3S — CID 2083431

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C20H14BrN3O3S/c21-16-6-10-19(11-7-16)28(26,27)24-17-8-4-15(5-9-17)20(25)23-18-3-1-2-14(12-18)13-22/h1-12,24H,(H,23,25)
InChIKeyKGUZWTKMPMGGGG-UHFFFAOYSA-N
MW456.32 g/mol
LogP4.37
Rot. Bonds5

About 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide

4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide (PubChem CID 2083431) has the molecular formula C20H14BrN3O3S and a molecular weight of 456.32 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
PubChem CID2083431
Molecular FormulaC20H14BrN3O3S
Molecular Weight456.32 g/mol
Exact Mass454.99
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C20H14BrN3O3S/c21-16-6-10-19(11-7-16)28(26,27)24-17-8-4-15(5-9-17)20(25)23-18-3-1-2-14(12-18)13-22/h1-12,24H,(H,23,25)
InChIKeyKGUZWTKMPMGGGG-UHFFFAOYSA-N
XLogP4.37
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)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

N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
CID 9245616
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061321
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide (CID 2083431) is 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide is N#Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide?
The InChIKey is KGUZWTKMPMGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O3S/c21-16-6-10-19(11-7-16)28(26,27)24-17-8-4-15(5-9-17)20(25)23-18-3-1-2-14(12-18)13-22/h1-12,24H,(H,23,25).
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide has a molecular weight of 456.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide is sourced from PubChem (CID 2083431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).