4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide

C12H7Br2F2NO2S — CID 103822956

IUPAC4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H7Br2F2NO2S/c13-8-5-4-7(6-11(8)16)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H
InChIKeyATSHEVZWHBMODN-UHFFFAOYSA-N
MW427.06 g/mol
LogP4.29
Rot. Bonds3

About 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 103822956) has the molecular formula C12H7Br2F2NO2S and a molecular weight of 427.06 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
PubChem CID103822956
Molecular FormulaC12H7Br2F2NO2S
Molecular Weight427.06 g/mol
Exact Mass424.85
IUPAC Name4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H7Br2F2NO2S/c13-8-5-4-7(6-11(8)16)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H
InChIKeyATSHEVZWHBMODN-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.06
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
CID 107603188
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide (CID 103822956) is 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1c(F)cccc1Br)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is ATSHEVZWHBMODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F2NO2S/c13-8-5-4-7(6-11(8)16)20(18,19)17-12-9(14)2-1-3-10(12)15/h1-6,17H.
What are the key properties of 4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide has a molecular weight of 427.06 g/mol, XLogP of 4.29, 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-6-fluorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103822956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).