3-bromo-2,4-difluorobenzenesulfonyl chloride

C6H2BrClF2O2S — CID 56604692

IUPAC3-bromo-2,4-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c(Br)c1F
InChIInChI=1S/C6H2BrClF2O2S/c7-5-3(9)1-2-4(6(5)10)13(8,11)12/h1-2H
InChIKeyPXIPSUBAGXNJEP-UHFFFAOYSA-N
MW291.50 g/mol
LogP2.65
Rot. Bonds1

About 3-bromo-2,4-difluorobenzenesulfonyl chloride

3-bromo-2,4-difluorobenzenesulfonyl chloride (PubChem CID 56604692) has the molecular formula C6H2BrClF2O2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 3-bromo-2,4-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-2,4-difluorobenzenesulfonyl chloride
PubChem CID56604692
Molecular FormulaC6H2BrClF2O2S
Molecular Weight291.50 g/mol
Exact Mass289.86
IUPAC Name3-bromo-2,4-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c(Br)c1F
InChIInChI=1S/C6H2BrClF2O2S/c7-5-3(9)1-2-4(6(5)10)13(8,11)12/h1-2H
InChIKeyPXIPSUBAGXNJEP-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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-difluorobenzenesulfonyl chloride?
The IUPAC name of 3-bromo-2,4-difluorobenzenesulfonyl chloride (CID 56604692) is 3-bromo-2,4-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-2,4-difluorobenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-2,4-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)c(Br)c1F.
What is the InChIKey of 3-bromo-2,4-difluorobenzenesulfonyl chloride?
The InChIKey is PXIPSUBAGXNJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2O2S/c7-5-3(9)1-2-4(6(5)10)13(8,11)12/h1-2H.
What are the key properties of 3-bromo-2,4-difluorobenzenesulfonyl chloride?
3-bromo-2,4-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-2,4-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 56604692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).