4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide

C12H7BrF3NO2S — CID 116528169

IUPAC4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1F
InChIInChI=1S/C12H7BrF3NO2S/c13-7-4-5-11(10(16)6-7)20(18,19)17-12-8(14)2-1-3-9(12)15/h1-6,17H
InChIKeyLZMYBGKRIWXMFW-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.67
Rot. Bonds3

About 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide

4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 116528169) has the molecular formula C12H7BrF3NO2S and a molecular weight of 366.16 g/mol. Its IUPAC name is 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
PubChem CID116528169
Molecular FormulaC12H7BrF3NO2S
Molecular Weight366.16 g/mol
Exact Mass364.93
IUPAC Name4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1F
InChIInChI=1S/C12H7BrF3NO2S/c13-7-4-5-11(10(16)6-7)20(18,19)17-12-8(14)2-1-3-9(12)15/h1-6,17H
InChIKeyLZMYBGKRIWXMFW-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide (CID 116528169) is 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is LZMYBGKRIWXMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2S/c13-7-4-5-11(10(16)6-7)20(18,19)17-12-8(14)2-1-3-9(12)15/h1-6,17H.
What are the key properties of 4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 366.16 g/mol, XLogP of 3.67, 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-difluorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).