5-diphenylphosphanylfuran-2-sulfonic acid

C16H13O4PS — CID 142652032

IUPAC5-diphenylphosphanylfuran-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(P(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H13O4PS/c17-22(18,19)16-12-11-15(20-16)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,17,18,19)
InChIKeyGXSIMLDFTASAOH-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.28
Rot. Bonds4

About 5-diphenylphosphanylfuran-2-sulfonic acid

5-diphenylphosphanylfuran-2-sulfonic acid (PubChem CID 142652032) has the molecular formula C16H13O4PS and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-diphenylphosphanylfuran-2-sulfonic acid.

Molecular Properties

Compound Name5-diphenylphosphanylfuran-2-sulfonic acid
PubChem CID142652032
Molecular FormulaC16H13O4PS
Molecular Weight332.32 g/mol
Exact Mass332.03
IUPAC Name5-diphenylphosphanylfuran-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(P(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H13O4PS/c17-22(18,19)16-12-11-15(20-16)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,17,18,19)
InChIKeyGXSIMLDFTASAOH-UHFFFAOYSA-N
XLogP2.28
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane
CID 634863
4-[phenyl-(4-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 4303689
lithium 5-diphenylphosphanylfuran-2-sulfinate
CID 10829650
gold;trifluoromethanesulfonic acid;triphenylphosphane
CID 158410335
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
azane;3-[phenyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 173085808
5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate
CID 10523935
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
4-diphenylphosphanylbenzenesulfonic acid;methylsulfinylmethane;hydrate
CID 118878602
3-diphenylphosphanylbenzene-1,2-disulfonic acid
CID 150435100
silver;tris(triphenylphosphane);iodide
CID 170458282
2-[[2-(1-benzofuran-2-yl)phenyl]-phenylphosphanyl]benzenesulfonic acid;palladium
CID 175338229

Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphanylfuran-2-sulfonic acid?
The IUPAC name of 5-diphenylphosphanylfuran-2-sulfonic acid (CID 142652032) is 5-diphenylphosphanylfuran-2-sulfonic acid.
What is the SMILES notation for 5-diphenylphosphanylfuran-2-sulfonic acid?
The canonical SMILES for 5-diphenylphosphanylfuran-2-sulfonic acid is O=S(=O)(O)c1ccc(P(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-diphenylphosphanylfuran-2-sulfonic acid?
The InChIKey is GXSIMLDFTASAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O4PS/c17-22(18,19)16-12-11-15(20-16)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,17,18,19).
What are the key properties of 5-diphenylphosphanylfuran-2-sulfonic acid?
5-diphenylphosphanylfuran-2-sulfonic acid has a molecular weight of 332.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphanylfuran-2-sulfonic acid is sourced from PubChem (CID 142652032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).