4-(oxiran-2-yl)benzenesulfonyl fluoride

C8H7FO3S — CID 167731606

IUPAC4-(oxiran-2-yl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(C2CO2)cc1
InChIInChI=1S/C8H7FO3S/c9-13(10,11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2
InChIKeyZTKYYXGSINHLQM-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.42
Rot. Bonds2

About 4-(oxiran-2-yl)benzenesulfonyl fluoride

4-(oxiran-2-yl)benzenesulfonyl fluoride (PubChem CID 167731606) has the molecular formula C8H7FO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(oxiran-2-yl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(oxiran-2-yl)benzenesulfonyl fluoride
PubChem CID167731606
Molecular FormulaC8H7FO3S
Molecular Weight202.21 g/mol
Exact Mass202.01
IUPAC Name4-(oxiran-2-yl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(C2CO2)cc1
InChIInChI=1S/C8H7FO3S/c9-13(10,11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2
InChIKeyZTKYYXGSINHLQM-UHFFFAOYSA-N
XLogP1.42
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)benzenesulfonyl fluoride?
The IUPAC name of 4-(oxiran-2-yl)benzenesulfonyl fluoride (CID 167731606) is 4-(oxiran-2-yl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(oxiran-2-yl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(oxiran-2-yl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(C2CO2)cc1.
What is the InChIKey of 4-(oxiran-2-yl)benzenesulfonyl fluoride?
The InChIKey is ZTKYYXGSINHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3S/c9-13(10,11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2.
What are the key properties of 4-(oxiran-2-yl)benzenesulfonyl fluoride?
4-(oxiran-2-yl)benzenesulfonyl fluoride has a molecular weight of 202.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)benzenesulfonyl fluoride is sourced from PubChem (CID 167731606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).