4-bromo-3,5-difluorobenzenesulfonyl chloride

C6H2BrClF2O2S — CID 44717516

IUPAC4-bromo-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C6H2BrClF2O2S/c7-6-4(9)1-3(2-5(6)10)13(8,11)12/h1-2H
InChIKeyQCESOQYTNNRNNY-UHFFFAOYSA-N
MW291.50 g/mol
LogP2.65
Rot. Bonds1

About 4-bromo-3,5-difluorobenzenesulfonyl chloride

4-bromo-3,5-difluorobenzenesulfonyl chloride (PubChem CID 44717516) has the molecular formula C6H2BrClF2O2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 4-bromo-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3,5-difluorobenzenesulfonyl chloride
PubChem CID44717516
Molecular FormulaC6H2BrClF2O2S
Molecular Weight291.50 g/mol
Exact Mass289.86
IUPAC Name4-bromo-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C6H2BrClF2O2S/c7-6-4(9)1-3(2-5(6)10)13(8,11)12/h1-2H
InChIKeyQCESOQYTNNRNNY-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 4-bromo-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3,5-difluorobenzenesulfonyl chloride (CID 44717516) is 4-bromo-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1.
What is the InChIKey of 4-bromo-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is QCESOQYTNNRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2O2S/c7-6-4(9)1-3(2-5(6)10)13(8,11)12/h1-2H.
What are the key properties of 4-bromo-3,5-difluorobenzenesulfonyl chloride?
4-bromo-3,5-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 4-bromo-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 44717516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).