[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium

C13H11ClO5PS+ — CID 57168386

IUPAC[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)c1ccc(COS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClO5PS/c14-11-3-7-13(8-4-11)21(17,18)19-9-10-1-5-12(6-2-10)20(15)16/h1-8H,9H2/p+1
InChIKeyQONSYZZFRYGCKS-UHFFFAOYSA-O
MW345.72 g/mol
LogP2.61
Rot. Bonds5

About [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium

[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium (PubChem CID 57168386) has the molecular formula C13H11ClO5PS+ and a molecular weight of 345.72 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium
PubChem CID57168386
Molecular FormulaC13H11ClO5PS+
Molecular Weight345.72 g/mol
Exact Mass344.97
IUPAC Name[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)c1ccc(COS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClO5PS/c14-11-3-7-13(8-4-11)21(17,18)19-9-10-1-5-12(6-2-10)20(15)16/h1-8H,9H2/p+1
InChIKeyQONSYZZFRYGCKS-UHFFFAOYSA-O
XLogP2.61
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium?
The IUPAC name of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium (CID 57168386) is [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium?
The canonical SMILES for [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium is O=[P+](O)c1ccc(COS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium?
The InChIKey is QONSYZZFRYGCKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10ClO5PS/c14-11-3-7-13(8-4-11)21(17,18)19-9-10-1-5-12(6-2-10)20(15)16/h1-8H,9H2/p+1.
What are the key properties of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium?
[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium has a molecular weight of 345.72 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 57168386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).