[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate

C13H9NO4S — CID 21395860

IUPAC[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate
SMILESN#COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9NO4S/c14-9-18-11-3-7-13(8-4-11)19(16,17)12-5-1-10(15)2-6-12/h1-8,15H
InChIKeyGHCRUJGFQDNIRG-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.08
Rot. Bonds3

About [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate

[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate (PubChem CID 21395860) has the molecular formula C13H9NO4S and a molecular weight of 275.29 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate
PubChem CID21395860
Molecular FormulaC13H9NO4S
Molecular Weight275.29 g/mol
Exact Mass275.03
IUPAC Name[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate
SMILESN#COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9NO4S/c14-9-18-11-3-7-13(8-4-11)19(16,17)12-5-1-10(15)2-6-12/h1-8,15H
InChIKeyGHCRUJGFQDNIRG-UHFFFAOYSA-N
XLogP2.08
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate?
The IUPAC name of [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate (CID 21395860) is [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate.
What is the SMILES notation for [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate?
The canonical SMILES for [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate is N#COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate?
The InChIKey is GHCRUJGFQDNIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4S/c14-9-18-11-3-7-13(8-4-11)19(16,17)12-5-1-10(15)2-6-12/h1-8,15H.
What are the key properties of [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate?
[4-(4-hydroxyphenyl)sulfonylphenyl] cyanate has a molecular weight of 275.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)sulfonylphenyl] cyanate is sourced from PubChem (CID 21395860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).