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

C15H15ClO5PS+ — CID 57311509

IUPAC[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium
SMILESCCO[P+](=O)c1ccc(COS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO5PS/c1-2-20-22(17)14-7-3-12(4-8-14)11-21-23(18,19)15-9-5-13(16)6-10-15/h3-10H,2,11H2,1H3/q+1
InChIKeyFXQXOQRORMKUAW-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.65
Rot. Bonds7

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

[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium (PubChem CID 57311509) has the molecular formula C15H15ClO5PS+ and a molecular weight of 373.77 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium
PubChem CID57311509
Molecular FormulaC15H15ClO5PS+
Molecular Weight373.77 g/mol
Exact Mass373.01
IUPAC Name[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium
SMILESCCO[P+](=O)c1ccc(COS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClO5PS/c1-2-20-22(17)14-7-3-12(4-8-14)11-21-23(18,19)15-9-5-13(16)6-10-15/h3-10H,2,11H2,1H3/q+1
InChIKeyFXQXOQRORMKUAW-UHFFFAOYSA-N
XLogP3.65
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-ethoxy-oxophosphanium?
The IUPAC name of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium (CID 57311509) is [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium.
What is the SMILES notation for [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium?
The canonical SMILES for [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium is CCO[P+](=O)c1ccc(COS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium?
The InChIKey is FXQXOQRORMKUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO5PS/c1-2-20-22(17)14-7-3-12(4-8-14)11-21-23(18,19)15-9-5-13(16)6-10-15/h3-10H,2,11H2,1H3/q+1.
What are the key properties of [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium?
[4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium has a molecular weight of 373.77 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)sulfonyloxymethyl]phenyl]-ethoxy-oxophosphanium is sourced from PubChem (CID 57311509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).