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

C13H10Br2ClNO2S — CID 28828912

IUPAC4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-6-9(14)2-4-12(8)17-20(18,19)13-5-3-10(15)7-11(13)16/h2-7,17H,1H3
InChIKeyUZPFJNYIITUUBM-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.97
Rot. Bonds3

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

4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide (PubChem CID 28828912) has the molecular formula C13H10Br2ClNO2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
PubChem CID28828912
Molecular FormulaC13H10Br2ClNO2S
Molecular Weight439.56 g/mol
Exact Mass436.85
IUPAC Name4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10Br2ClNO2S/c1-8-6-9(14)2-4-12(8)17-20(18,19)13-5-3-10(15)7-11(13)16/h2-7,17H,1H3
InChIKeyUZPFJNYIITUUBM-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

4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
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-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide (CID 28828912) is 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide?
The InChIKey is UZPFJNYIITUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO2S/c1-8-6-9(14)2-4-12(8)17-20(18,19)13-5-3-10(15)7-11(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(4-bromo-2-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-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 28828912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).