3-formylbenzenesulfonyl fluoride

C7H5FO3S — CID 54224710

IUPAC3-formylbenzenesulfonyl fluoride
SMILESO=Cc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C7H5FO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-5H
InChIKeyNQABFRYSIGLHOK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.16
Rot. Bonds2

About 3-formylbenzenesulfonyl fluoride

3-formylbenzenesulfonyl fluoride (PubChem CID 54224710) has the molecular formula C7H5FO3S and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-formylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-formylbenzenesulfonyl fluoride
PubChem CID54224710
Molecular FormulaC7H5FO3S
Molecular Weight188.18 g/mol
Exact Mass187.99
IUPAC Name3-formylbenzenesulfonyl fluoride
SMILESO=Cc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C7H5FO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-5H
InChIKeyNQABFRYSIGLHOK-UHFFFAOYSA-N
XLogP1.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formylbenzenesulfonyl fluoride?
The IUPAC name of 3-formylbenzenesulfonyl fluoride (CID 54224710) is 3-formylbenzenesulfonyl fluoride.
What is the SMILES notation for 3-formylbenzenesulfonyl fluoride?
The canonical SMILES for 3-formylbenzenesulfonyl fluoride is O=Cc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-formylbenzenesulfonyl fluoride?
The InChIKey is NQABFRYSIGLHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-5H.
What are the key properties of 3-formylbenzenesulfonyl fluoride?
3-formylbenzenesulfonyl fluoride has a molecular weight of 188.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylbenzenesulfonyl fluoride is sourced from PubChem (CID 54224710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).