4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide

C13H9Br2Cl2NO2S — CID 82747202

IUPAC4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-3-9(15)12(4-7)18-21(19,20)13-10(16)5-8(14)6-11(13)17/h2-6,18H,1H3
InChIKeyFBGPBZOQFJDGBM-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.63
Rot. Bonds3

About 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide

4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 82747202) has the molecular formula C13H9Br2Cl2NO2S and a molecular weight of 474.00 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID82747202
Molecular FormulaC13H9Br2Cl2NO2S
Molecular Weight474.00 g/mol
Exact Mass470.81
IUPAC Name4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-3-9(15)12(4-7)18-21(19,20)13-10(16)5-8(14)6-11(13)17/h2-6,18H,1H3
InChIKeyFBGPBZOQFJDGBM-UHFFFAOYSA-N
XLogP5.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide (CID 82747202) is 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is FBGPBZOQFJDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2NO2S/c1-7-2-3-9(15)12(4-7)18-21(19,20)13-10(16)5-8(14)6-11(13)17/h2-6,18H,1H3.
What are the key properties of 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide?
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide has a molecular weight of 474.00 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 82747202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).