5-cyano-2-hydroxybenzenesulfinic acid

C7H5NO3S — CID 23020717

IUPAC5-cyano-2-hydroxybenzenesulfinic acid
SMILESN#Cc1ccc(O)c(S(=O)O)c1
InChIInChI=1S/C7H5NO3S/c8-4-5-1-2-6(9)7(3-5)12(10)11/h1-3,9H,(H,10,11)
InChIKeySZPYMLBKGMNGMF-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.84
Rot. Bonds1

About 5-cyano-2-hydroxybenzenesulfinic acid

5-cyano-2-hydroxybenzenesulfinic acid (PubChem CID 23020717) has the molecular formula C7H5NO3S and a molecular weight of 183.19 g/mol. Its IUPAC name is 5-cyano-2-hydroxybenzenesulfinic acid.

Molecular Properties

Compound Name5-cyano-2-hydroxybenzenesulfinic acid
PubChem CID23020717
Molecular FormulaC7H5NO3S
Molecular Weight183.19 g/mol
Exact Mass183.00
IUPAC Name5-cyano-2-hydroxybenzenesulfinic acid
SMILESN#Cc1ccc(O)c(S(=O)O)c1
InChIInChI=1S/C7H5NO3S/c8-4-5-1-2-6(9)7(3-5)12(10)11/h1-3,9H,(H,10,11)
InChIKeySZPYMLBKGMNGMF-UHFFFAOYSA-N
XLogP0.84
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyano-2-hydroxybenzenesulfinic acid 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 5-cyano-2-hydroxybenzenesulfinic acid?
The IUPAC name of 5-cyano-2-hydroxybenzenesulfinic acid (CID 23020717) is 5-cyano-2-hydroxybenzenesulfinic acid.
What is the SMILES notation for 5-cyano-2-hydroxybenzenesulfinic acid?
The canonical SMILES for 5-cyano-2-hydroxybenzenesulfinic acid is N#Cc1ccc(O)c(S(=O)O)c1.
What is the InChIKey of 5-cyano-2-hydroxybenzenesulfinic acid?
The InChIKey is SZPYMLBKGMNGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S/c8-4-5-1-2-6(9)7(3-5)12(10)11/h1-3,9H,(H,10,11).
What are the key properties of 5-cyano-2-hydroxybenzenesulfinic acid?
5-cyano-2-hydroxybenzenesulfinic acid has a molecular weight of 183.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-hydroxybenzenesulfinic acid is sourced from PubChem (CID 23020717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).