sodium;hydride;imidazole-1-sulfonic acid

C3H5N2NaO3S — CID 174835950

IUPACsodium;hydride;imidazole-1-sulfonic acid
SMILESO=S(=O)(O)n1ccnc1.[H-].[Na+]
InChIInChI=1S/C3H4N2O3S.Na.H/c6-9(7,8)5-2-1-4-3-5;;/h1-3H,(H,6,7,8);;/q;+1;-1
InChIKeyYVGTXPRVEYCYCJ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-3.35
Rot. Bonds1

About sodium;hydride;imidazole-1-sulfonic acid

sodium;hydride;imidazole-1-sulfonic acid (PubChem CID 174835950) has the molecular formula C3H5N2NaO3S and a molecular weight of 172.14 g/mol. Its IUPAC name is sodium;hydride;imidazole-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;imidazole-1-sulfonic acid
PubChem CID174835950
Molecular FormulaC3H5N2NaO3S
Molecular Weight172.14 g/mol
Exact Mass171.99
IUPAC Namesodium;hydride;imidazole-1-sulfonic acid
SMILESO=S(=O)(O)n1ccnc1.[H-].[Na+]
InChIInChI=1S/C3H4N2O3S.Na.H/c6-9(7,8)5-2-1-4-3-5;;/h1-3H,(H,6,7,8);;/q;+1;-1
InChIKeyYVGTXPRVEYCYCJ-UHFFFAOYSA-N
XLogP-3.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-3.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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bis(3-imidazol-1-ylsulfonylphenyl)methanone
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1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
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2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;imidazole-1-sulfonic acid?
The IUPAC name of sodium;hydride;imidazole-1-sulfonic acid (CID 174835950) is sodium;hydride;imidazole-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;imidazole-1-sulfonic acid?
The canonical SMILES for sodium;hydride;imidazole-1-sulfonic acid is O=S(=O)(O)n1ccnc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;imidazole-1-sulfonic acid?
The InChIKey is YVGTXPRVEYCYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O3S.Na.H/c6-9(7,8)5-2-1-4-3-5;;/h1-3H,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;imidazole-1-sulfonic acid?
sodium;hydride;imidazole-1-sulfonic acid has a molecular weight of 172.14 g/mol, XLogP of -3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;imidazole-1-sulfonic acid is sourced from PubChem (CID 174835950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).