4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide

C13H7Br2ClN2O2S — CID 107798445

IUPAC4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H7Br2ClN2O2S/c14-9-3-4-13(11(16)5-9)21(19,20)18-12-6-10(15)2-1-8(12)7-17/h1-6,18H
InChIKeyCSSLUYFCFYOLBL-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide

4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide (PubChem CID 107798445) has the molecular formula C13H7Br2ClN2O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
PubChem CID107798445
Molecular FormulaC13H7Br2ClN2O2S
Molecular Weight450.54 g/mol
Exact Mass447.83
IUPAC Name4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H7Br2ClN2O2S/c14-9-3-4-13(11(16)5-9)21(19,20)18-12-6-10(15)2-1-8(12)7-17/h1-6,18H
InChIKeyCSSLUYFCFYOLBL-UHFFFAOYSA-N
XLogP4.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide 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

4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide
CID 107801188
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
CID 107798443
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide (CID 107798445) is 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide is N#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
The InChIKey is CSSLUYFCFYOLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O2S/c14-9-3-4-13(11(16)5-9)21(19,20)18-12-6-10(15)2-1-8(12)7-17/h1-6,18H.
What are the key properties of 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide has a molecular weight of 450.54 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 107798445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).