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

C13H9Br2Cl2NO2S — CID 28829086

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

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

4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 28829086) has the molecular formula C13H9Br2Cl2NO2S and a molecular weight of 474.00 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID28829086
Molecular FormulaC13H9Br2Cl2NO2S
Molecular Weight474.00 g/mol
Exact Mass470.81
IUPAC Name4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C13H9Br2Cl2NO2S/c1-7-2-3-12(9(15)4-7)18-21(19,20)13-10(16)5-8(14)6-11(13)17/h2-6,18H,1H3
InChIKeyFFRCHPZXVPJMRV-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-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
4-bromo-2,6-dichloro-N-(2-methylphenyl)benzenesulfonamide
CID 47104330
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide (CID 28829086) is 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c(Br)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is FFRCHPZXVPJMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2NO2S/c1-7-2-3-12(9(15)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-4-methylphenyl)-2,6-dichlorobenzenesulfonamide?
4-bromo-N-(2-bromo-4-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-4-methylphenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 28829086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).