4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid

C14H10ClFO2S — CID 69302637

IUPAC4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid
SMILESO=S(O)c1ccc(Cl)cc1C=Cc1ccc(F)cc1
InChIInChI=1S/C14H10ClFO2S/c15-12-5-8-14(19(17)18)11(9-12)4-1-10-2-6-13(16)7-3-10/h1-9H,(H,17,18)
InChIKeyRUXQUQYGSZHAMP-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.23
Rot. Bonds3

About 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid

4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid (PubChem CID 69302637) has the molecular formula C14H10ClFO2S and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid.

Molecular Properties

Compound Name4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid
PubChem CID69302637
Molecular FormulaC14H10ClFO2S
Molecular Weight296.75 g/mol
Exact Mass296.01
IUPAC Name4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid
SMILESO=S(O)c1ccc(Cl)cc1C=Cc1ccc(F)cc1
InChIInChI=1S/C14H10ClFO2S/c15-12-5-8-14(19(17)18)11(9-12)4-1-10-2-6-13(16)7-3-10/h1-9H,(H,17,18)
InChIKeyRUXQUQYGSZHAMP-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid?
The IUPAC name of 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid (CID 69302637) is 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid.
What is the SMILES notation for 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid?
The canonical SMILES for 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid is O=S(O)c1ccc(Cl)cc1C=Cc1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid?
The InChIKey is RUXQUQYGSZHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2S/c15-12-5-8-14(19(17)18)11(9-12)4-1-10-2-6-13(16)7-3-10/h1-9H,(H,17,18).
What are the key properties of 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid?
4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid has a molecular weight of 296.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-fluorophenyl)ethenyl]benzenesulfinic acid is sourced from PubChem (CID 69302637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).