CID 131847531

H3NNaO3S — CID 131847531

IUPAC—
SMILESNS(=O)(=O)O.[Na]
InChIInChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);
InChIKeyZCJHFOLNXNSZJG-UHFFFAOYSA-N
MW120.08 g/mol
LogP-1.63
Rot. Bonds

About CID 131847531

CID 131847531 (PubChem CID 131847531) has the molecular formula H3NNaO3S and a molecular weight of 120.08 g/mol.

Molecular Properties

Compound NameCID 131847531
PubChem CID131847531
Molecular FormulaH3NNaO3S
Molecular Weight120.08 g/mol
Exact Mass119.97
IUPAC Name—
SMILESNS(=O)(=O)O.[Na]
InChIInChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);
InChIKeyZCJHFOLNXNSZJG-UHFFFAOYSA-N
XLogP-1.63
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131847531?
The IUPAC name of CID 131847531 (CID 131847531) is not available.
What is the SMILES notation for CID 131847531?
The canonical SMILES for CID 131847531 is NS(=O)(=O)O.[Na].
What is the InChIKey of CID 131847531?
The InChIKey is ZCJHFOLNXNSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO3S.Na/c1-5(2,3)4;/h(H3,1,2,3,4);.
What are the key properties of CID 131847531?
CID 131847531 has a molecular weight of 120.08 g/mol, XLogP of -1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131847531 is sourced from PubChem (CID 131847531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).