2-(bromomethyl)benzenesulfonyl fluoride

C7H6BrFO2S — CID 88740948

IUPAC2-(bromomethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1CBr
InChIInChI=1S/C7H6BrFO2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5H2
InChIKeyGLHNJHLSPDWSGQ-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.24
Rot. Bonds2

About 2-(bromomethyl)benzenesulfonyl fluoride

2-(bromomethyl)benzenesulfonyl fluoride (PubChem CID 88740948) has the molecular formula C7H6BrFO2S and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-(bromomethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(bromomethyl)benzenesulfonyl fluoride
PubChem CID88740948
Molecular FormulaC7H6BrFO2S
Molecular Weight253.09 g/mol
Exact Mass251.93
IUPAC Name2-(bromomethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1CBr
InChIInChI=1S/C7H6BrFO2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5H2
InChIKeyGLHNJHLSPDWSGQ-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)benzenesulfonyl fluoride?
The IUPAC name of 2-(bromomethyl)benzenesulfonyl fluoride (CID 88740948) is 2-(bromomethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(bromomethyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-(bromomethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1CBr.
What is the InChIKey of 2-(bromomethyl)benzenesulfonyl fluoride?
The InChIKey is GLHNJHLSPDWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5H2.
What are the key properties of 2-(bromomethyl)benzenesulfonyl fluoride?
2-(bromomethyl)benzenesulfonyl fluoride has a molecular weight of 253.09 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 88740948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).