[(4-chlorophenyl)diazenyl]methanesulfinic acid

C7H7ClN2O2S — CID 175357872

IUPAC[(4-chlorophenyl)diazenyl]methanesulfinic acid
SMILESO=S(O)C/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN2O2S/c8-6-1-3-7(4-2-6)10-9-5-13(11)12/h1-4H,5H2,(H,11,12)/b10-9+
InChIKeyKJPUCNMCTBOVRQ-MDZDMXLPSA-N
MW218.66 g/mol
LogP2.60
Rot. Bonds3

About [(4-chlorophenyl)diazenyl]methanesulfinic acid

[(4-chlorophenyl)diazenyl]methanesulfinic acid (PubChem CID 175357872) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is [(4-chlorophenyl)diazenyl]methanesulfinic acid.

Molecular Properties

Compound Name[(4-chlorophenyl)diazenyl]methanesulfinic acid
PubChem CID175357872
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name[(4-chlorophenyl)diazenyl]methanesulfinic acid
SMILESO=S(O)C/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN2O2S/c8-6-1-3-7(4-2-6)10-9-5-13(11)12/h1-4H,5H2,(H,11,12)/b10-9+
InChIKeyKJPUCNMCTBOVRQ-MDZDMXLPSA-N
XLogP2.60
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze [(4-chlorophenyl)diazenyl]methanesulfinic 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 [(4-chlorophenyl)diazenyl]methanesulfinic acid?
The IUPAC name of [(4-chlorophenyl)diazenyl]methanesulfinic acid (CID 175357872) is [(4-chlorophenyl)diazenyl]methanesulfinic acid.
What is the SMILES notation for [(4-chlorophenyl)diazenyl]methanesulfinic acid?
The canonical SMILES for [(4-chlorophenyl)diazenyl]methanesulfinic acid is O=S(O)C/N=N/c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)diazenyl]methanesulfinic acid?
The InChIKey is KJPUCNMCTBOVRQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-6-1-3-7(4-2-6)10-9-5-13(11)12/h1-4H,5H2,(H,11,12)/b10-9+.
What are the key properties of [(4-chlorophenyl)diazenyl]methanesulfinic acid?
[(4-chlorophenyl)diazenyl]methanesulfinic acid has a molecular weight of 218.66 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)diazenyl]methanesulfinic acid is sourced from PubChem (CID 175357872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).