[1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium

C13H17ClO5PS+ — CID 57273665

IUPAC[1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)C1(COS(=O)(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H16ClO5PS/c14-11-4-6-12(7-5-11)21(17,18)19-10-13(20(15)16)8-2-1-3-9-13/h4-7H,1-3,8-10H2/p+1
InChIKeyVTHBZDAOECIBEF-UHFFFAOYSA-O
MW351.77 g/mol
LogP3.48
Rot. Bonds5

About [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium

[1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium (PubChem CID 57273665) has the molecular formula C13H17ClO5PS+ and a molecular weight of 351.77 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium
PubChem CID57273665
Molecular FormulaC13H17ClO5PS+
Molecular Weight351.77 g/mol
Exact Mass351.02
IUPAC Name[1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium
SMILESO=[P+](O)C1(COS(=O)(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H16ClO5PS/c14-11-4-6-12(7-5-11)21(17,18)19-10-13(20(15)16)8-2-1-3-9-13/h4-7H,1-3,8-10H2/p+1
InChIKeyVTHBZDAOECIBEF-UHFFFAOYSA-O
XLogP3.48
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.48
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 [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium?
The IUPAC name of [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium (CID 57273665) is [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium?
The canonical SMILES for [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium is O=[P+](O)C1(COS(=O)(=O)c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium?
The InChIKey is VTHBZDAOECIBEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16ClO5PS/c14-11-4-6-12(7-5-11)21(17,18)19-10-13(20(15)16)8-2-1-3-9-13/h4-7H,1-3,8-10H2/p+1.
What are the key properties of [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium?
[1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium has a molecular weight of 351.77 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)sulfonyloxymethyl]cyclohexyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 57273665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).