CID 57440223

H2NO5S2- — CID 57440223

IUPAC—
SMILESO=S([O-])NS(=O)(=O)O
InChIInChI=1S/H3NO5S2/c2-7(3)1-8(4,5)6/h1H,(H,2,3)(H,4,5,6)/p-1
InChIKeyKEIBJHFBHPDFKN-UHFFFAOYSA-M
MW160.15 g/mol
LogP-1.83
Rot. Bonds2

About CID 57440223

CID 57440223 (PubChem CID 57440223) has the molecular formula H2NO5S2- and a molecular weight of 160.15 g/mol.

Molecular Properties

Compound NameCID 57440223
PubChem CID57440223
Molecular FormulaH2NO5S2-
Molecular Weight160.15 g/mol
Exact Mass159.94
IUPAC Name—
SMILESO=S([O-])NS(=O)(=O)O
InChIInChI=1S/H3NO5S2/c2-7(3)1-8(4,5)6/h1H,(H,2,3)(H,4,5,6)/p-1
InChIKeyKEIBJHFBHPDFKN-UHFFFAOYSA-M
XLogP-1.83
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze CID 57440223 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 CID 57440223?
The IUPAC name of CID 57440223 (CID 57440223) is not available.
What is the SMILES notation for CID 57440223?
The canonical SMILES for CID 57440223 is O=S([O-])NS(=O)(=O)O.
What is the InChIKey of CID 57440223?
The InChIKey is KEIBJHFBHPDFKN-UHFFFAOYSA-M. The full InChI is InChI=1S/H3NO5S2/c2-7(3)1-8(4,5)6/h1H,(H,2,3)(H,4,5,6)/p-1.
What are the key properties of CID 57440223?
CID 57440223 has a molecular weight of 160.15 g/mol, XLogP of -1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57440223 is sourced from PubChem (CID 57440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).