diphenyl(2-sulfonylethyl)phosphane

C14H13O2PS — CID 88701144

IUPACdiphenyl(2-sulfonylethyl)phosphane
SMILESO=S(=O)=CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2PS/c15-18(16)12-11-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyJXLRSRFGSGRZRX-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.80
Rot. Bonds4

About diphenyl(2-sulfonylethyl)phosphane

diphenyl(2-sulfonylethyl)phosphane (PubChem CID 88701144) has the molecular formula C14H13O2PS and a molecular weight of 276.30 g/mol. Its IUPAC name is diphenyl(2-sulfonylethyl)phosphane.

Molecular Properties

Compound Namediphenyl(2-sulfonylethyl)phosphane
PubChem CID88701144
Molecular FormulaC14H13O2PS
Molecular Weight276.30 g/mol
Exact Mass276.04
IUPAC Namediphenyl(2-sulfonylethyl)phosphane
SMILESO=S(=O)=CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2PS/c15-18(16)12-11-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyJXLRSRFGSGRZRX-UHFFFAOYSA-N
XLogP1.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl(2-sulfonylethyl)phosphane?
The IUPAC name of diphenyl(2-sulfonylethyl)phosphane (CID 88701144) is diphenyl(2-sulfonylethyl)phosphane.
What is the SMILES notation for diphenyl(2-sulfonylethyl)phosphane?
The canonical SMILES for diphenyl(2-sulfonylethyl)phosphane is O=S(=O)=CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(2-sulfonylethyl)phosphane?
The InChIKey is JXLRSRFGSGRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O2PS/c15-18(16)12-11-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of diphenyl(2-sulfonylethyl)phosphane?
diphenyl(2-sulfonylethyl)phosphane has a molecular weight of 276.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(2-sulfonylethyl)phosphane is sourced from PubChem (CID 88701144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).