4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide

C13H10Br2ClNO2S — CID 28829084

IUPAC4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-2-4-12(10(15)6-8)17-20(18,19)13-5-3-9(14)7-11(13)16/h2-7,17H,1H3
InChIKeyYMZTURIDEBYUDV-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.97
Rot. Bonds3

About 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide

4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide (PubChem CID 28829084) has the molecular formula C13H10Br2ClNO2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
PubChem CID28829084
Molecular FormulaC13H10Br2ClNO2S
Molecular Weight439.56 g/mol
Exact Mass436.85
IUPAC Name4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-2-4-12(10(15)6-8)17-20(18,19)13-5-3-9(14)7-11(13)16/h2-7,17H,1H3
InChIKeyYMZTURIDEBYUDV-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 82747202
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide (CID 28829084) is 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(Br)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide?
The InChIKey is YMZTURIDEBYUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO2S/c1-8-2-4-12(10(15)6-8)17-20(18,19)13-5-3-9(14)7-11(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 4.97, 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-chlorobenzenesulfonamide is sourced from PubChem (CID 28829084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).