(2-methylsulfonylphenyl)-phenylphosphane

C13H13O2PS — CID 71101597

IUPAC(2-methylsulfonylphenyl)-phenylphosphane
SMILESCS(=O)(=O)c1ccccc1Pc1ccccc1
InChIInChI=1S/C13H13O2PS/c1-17(14,15)13-10-6-5-9-12(13)16-11-7-3-2-4-8-11/h2-10,16H,1H3
InChIKeyQNKKAHJNQAETND-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.72
Rot. Bonds3

About (2-methylsulfonylphenyl)-phenylphosphane

(2-methylsulfonylphenyl)-phenylphosphane (PubChem CID 71101597) has the molecular formula C13H13O2PS and a molecular weight of 264.29 g/mol. Its IUPAC name is (2-methylsulfonylphenyl)-phenylphosphane.

Molecular Properties

Compound Name(2-methylsulfonylphenyl)-phenylphosphane
PubChem CID71101597
Molecular FormulaC13H13O2PS
Molecular Weight264.29 g/mol
Exact Mass264.04
IUPAC Name(2-methylsulfonylphenyl)-phenylphosphane
SMILESCS(=O)(=O)c1ccccc1Pc1ccccc1
InChIInChI=1S/C13H13O2PS/c1-17(14,15)13-10-6-5-9-12(13)16-11-7-3-2-4-8-11/h2-10,16H,1H3
InChIKeyQNKKAHJNQAETND-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonylphenyl)-phenylphosphane?
The IUPAC name of (2-methylsulfonylphenyl)-phenylphosphane (CID 71101597) is (2-methylsulfonylphenyl)-phenylphosphane.
What is the SMILES notation for (2-methylsulfonylphenyl)-phenylphosphane?
The canonical SMILES for (2-methylsulfonylphenyl)-phenylphosphane is CS(=O)(=O)c1ccccc1Pc1ccccc1.
What is the InChIKey of (2-methylsulfonylphenyl)-phenylphosphane?
The InChIKey is QNKKAHJNQAETND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O2PS/c1-17(14,15)13-10-6-5-9-12(13)16-11-7-3-2-4-8-11/h2-10,16H,1H3.
What are the key properties of (2-methylsulfonylphenyl)-phenylphosphane?
(2-methylsulfonylphenyl)-phenylphosphane has a molecular weight of 264.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonylphenyl)-phenylphosphane is sourced from PubChem (CID 71101597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).