3-bromo-2,5-difluorobenzenesulfonyl chloride

C6H2BrClF2O2S — CID 54379847

IUPAC3-bromo-2,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(Br)c1F
InChIInChI=1S/C6H2BrClF2O2S/c7-4-1-3(9)2-5(6(4)10)13(8,11)12/h1-2H
InChIKeyUZDIOAGLCYFPPL-UHFFFAOYSA-N
MW291.50 g/mol
LogP2.65
Rot. Bonds1

About 3-bromo-2,5-difluorobenzenesulfonyl chloride

3-bromo-2,5-difluorobenzenesulfonyl chloride (PubChem CID 54379847) has the molecular formula C6H2BrClF2O2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 3-bromo-2,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-2,5-difluorobenzenesulfonyl chloride
PubChem CID54379847
Molecular FormulaC6H2BrClF2O2S
Molecular Weight291.50 g/mol
Exact Mass289.86
IUPAC Name3-bromo-2,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(Br)c1F
InChIInChI=1S/C6H2BrClF2O2S/c7-4-1-3(9)2-5(6(4)10)13(8,11)12/h1-2H
InChIKeyUZDIOAGLCYFPPL-UHFFFAOYSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
CID 84715523
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
4,6-dibromo-2,3-difluorobenzenesulfonyl chloride
CID 118824087
2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053
5-bromo-3-chlorosulfonyl-2-fluoro-6-methylbenzoic acid
CID 90044742
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
CID 50998068
5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
CID 56604734
5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride
CID 13488965
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 3-bromo-2,5-difluorobenzenesulfonyl chloride (CID 54379847) is 3-bromo-2,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-2,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-2,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(Br)c1F.
What is the InChIKey of 3-bromo-2,5-difluorobenzenesulfonyl chloride?
The InChIKey is UZDIOAGLCYFPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2O2S/c7-4-1-3(9)2-5(6(4)10)13(8,11)12/h1-2H.
What are the key properties of 3-bromo-2,5-difluorobenzenesulfonyl chloride?
3-bromo-2,5-difluorobenzenesulfonyl chloride has a molecular weight of 291.50 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 54379847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).