2-bromo-4,6-difluorobenzenesulfonyl fluoride

C6H2BrF3O2S — CID 99939039

IUPAC2-bromo-4,6-difluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1c(F)cc(F)cc1Br
InChIInChI=1S/C6H2BrF3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H
InChIKeyUYQJPKWCZMLUNP-UHFFFAOYSA-N
MW275.04 g/mol
LogP2.39
Rot. Bonds1

About 2-bromo-4,6-difluorobenzenesulfonyl fluoride

2-bromo-4,6-difluorobenzenesulfonyl fluoride (PubChem CID 99939039) has the molecular formula C6H2BrF3O2S and a molecular weight of 275.04 g/mol. Its IUPAC name is 2-bromo-4,6-difluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-bromo-4,6-difluorobenzenesulfonyl fluoride
PubChem CID99939039
Molecular FormulaC6H2BrF3O2S
Molecular Weight275.04 g/mol
Exact Mass273.89
IUPAC Name2-bromo-4,6-difluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1c(F)cc(F)cc1Br
InChIInChI=1S/C6H2BrF3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H
InChIKeyUYQJPKWCZMLUNP-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4,6-difluorobenzenesulfonic acid
CID 87704904
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
2,4,6-trifluorobenzenesulfonamide
CID 2778291
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235732
N-(2-aminoethyl)-2-bromo-4,6-difluoro-N-methylbenzenesulfonamide
CID 62686253
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79117967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluorobenzenesulfonyl fluoride?
The IUPAC name of 2-bromo-4,6-difluorobenzenesulfonyl fluoride (CID 99939039) is 2-bromo-4,6-difluorobenzenesulfonyl fluoride.
What is the SMILES notation for 2-bromo-4,6-difluorobenzenesulfonyl fluoride?
The canonical SMILES for 2-bromo-4,6-difluorobenzenesulfonyl fluoride is O=S(=O)(F)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluorobenzenesulfonyl fluoride?
The InChIKey is UYQJPKWCZMLUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H.
What are the key properties of 2-bromo-4,6-difluorobenzenesulfonyl fluoride?
2-bromo-4,6-difluorobenzenesulfonyl fluoride has a molecular weight of 275.04 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluorobenzenesulfonyl fluoride is sourced from PubChem (CID 99939039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).