4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide

C13H9Br3FNO2S — CID 116528134

IUPAC4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C13H9Br3FNO2S/c1-7-4-9(15)13(10(16)5-7)18-21(19,20)12-3-2-8(14)6-11(12)17/h2-6,18H,1H3
InChIKeyKAUXMFNUKQWJOM-UHFFFAOYSA-N
MW502.00 g/mol
LogP5.22
Rot. Bonds3

About 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide

4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 116528134) has the molecular formula C13H9Br3FNO2S and a molecular weight of 502.00 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID116528134
Molecular FormulaC13H9Br3FNO2S
Molecular Weight502.00 g/mol
Exact Mass498.79
IUPAC Name4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C13H9Br3FNO2S/c1-7-4-9(15)13(10(16)5-7)18-21(19,20)12-3-2-8(14)6-11(12)17/h2-6,18H,1H3
InChIKeyKAUXMFNUKQWJOM-UHFFFAOYSA-N
XLogP5.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.00
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114389118
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide (CID 116528134) is 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ccc(Br)cc2F)c(Br)c1.
What is the InChIKey of 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is KAUXMFNUKQWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3FNO2S/c1-7-4-9(15)13(10(16)5-7)18-21(19,20)12-3-2-8(14)6-11(12)17/h2-6,18H,1H3.
What are the key properties of 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 502.00 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).