[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium

C25H22O2PS+ — CID 173344364

IUPAC[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium
SMILESO=S(=O)(c1ccccc1)C([PH2+]c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O2PS/c26-29(27,24-19-11-4-12-20-24)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)28-23-17-9-3-10-18-23/h1-20,28H/p+1
InChIKeyNIPUBMZMMBIBIA-UHFFFAOYSA-O
MW417.49 g/mol
LogP5.10
Rot. Bonds6

About [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium

[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium (PubChem CID 173344364) has the molecular formula C25H22O2PS+ and a molecular weight of 417.49 g/mol. Its IUPAC name is [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium.

Molecular Properties

Compound Name[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium
PubChem CID173344364
Molecular FormulaC25H22O2PS+
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium
SMILESO=S(=O)(c1ccccc1)C([PH2+]c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O2PS/c26-29(27,24-19-11-4-12-20-24)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)28-23-17-9-3-10-18-23/h1-20,28H/p+1
InChIKeyNIPUBMZMMBIBIA-UHFFFAOYSA-O
XLogP5.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.10
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 [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium?
The IUPAC name of [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium (CID 173344364) is [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium.
What is the SMILES notation for [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium?
The canonical SMILES for [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium is O=S(=O)(c1ccccc1)C([PH2+]c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium?
The InChIKey is NIPUBMZMMBIBIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H21O2PS/c26-29(27,24-19-11-4-12-20-24)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)28-23-17-9-3-10-18-23/h1-20,28H/p+1.
What are the key properties of [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium?
[benzenesulfonyl(diphenyl)methyl]-phenylphosphanium has a molecular weight of 417.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(diphenyl)methyl]-phenylphosphanium is sourced from PubChem (CID 173344364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).