2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine

C11H6BrF2NO2S — CID 166624903

IUPAC2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccnc(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C11H6BrF2NO2S/c12-11-6-8(3-4-15-11)18(16,17)10-2-1-7(13)5-9(10)14/h1-6H
InChIKeyGRZPMKHNEUIVSS-UHFFFAOYSA-N
MW334.14 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine

2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine (PubChem CID 166624903) has the molecular formula C11H6BrF2NO2S and a molecular weight of 334.14 g/mol. Its IUPAC name is 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine
PubChem CID166624903
Molecular FormulaC11H6BrF2NO2S
Molecular Weight334.14 g/mol
Exact Mass332.93
IUPAC Name2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccnc(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C11H6BrF2NO2S/c12-11-6-8(3-4-15-11)18(16,17)10-2-1-7(13)5-9(10)14/h1-6H
InChIKeyGRZPMKHNEUIVSS-UHFFFAOYSA-N
XLogP2.96
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(2-chlorophenyl)sulfonylpyridine
CID 166624895
potassium 3-(2,4-difluorophenyl)sulfonylbenzenesulfonate
CID 142697327
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 68530611
N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 90042168
4-(2,4-difluorophenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312058
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
7-fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine?
The IUPAC name of 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine (CID 166624903) is 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine?
The canonical SMILES for 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine is O=S(=O)(c1ccnc(Br)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine?
The InChIKey is GRZPMKHNEUIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NO2S/c12-11-6-8(3-4-15-11)18(16,17)10-2-1-7(13)5-9(10)14/h1-6H.
What are the key properties of 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine?
2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine has a molecular weight of 334.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,4-difluorophenyl)sulfonylpyridine is sourced from PubChem (CID 166624903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).