sodium;1H-benzimidazole-4-sulfonic acid;hydride

C7H7N2NaO3S — CID 173431906

IUPACsodium;1H-benzimidazole-4-sulfonic acid;hydride
SMILESO=S(=O)(O)c1cccc2[nH]cnc12.[H-].[Na+]
InChIInChI=1S/C7H6N2O3S.Na.H/c10-13(11,12)6-3-1-2-5-7(6)9-4-8-5;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1
InChIKeyDOHXTGCIPZNAJZ-UHFFFAOYSA-N
MW222.20 g/mol
LogP-2.07
Rot. Bonds1

About sodium;1H-benzimidazole-4-sulfonic acid;hydride

sodium;1H-benzimidazole-4-sulfonic acid;hydride (PubChem CID 173431906) has the molecular formula C7H7N2NaO3S and a molecular weight of 222.20 g/mol. Its IUPAC name is sodium;1H-benzimidazole-4-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;1H-benzimidazole-4-sulfonic acid;hydride
PubChem CID173431906
Molecular FormulaC7H7N2NaO3S
Molecular Weight222.20 g/mol
Exact Mass222.01
IUPAC Namesodium;1H-benzimidazole-4-sulfonic acid;hydride
SMILESO=S(=O)(O)c1cccc2[nH]cnc12.[H-].[Na+]
InChIInChI=1S/C7H6N2O3S.Na.H/c10-13(11,12)6-3-1-2-5-7(6)9-4-8-5;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1
InChIKeyDOHXTGCIPZNAJZ-UHFFFAOYSA-N
XLogP-2.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-benzimidazole-4-carboxylic acid
CID 2771758
4-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 59279265
1H-benzimidazol-4-ol;hydrobromide
CID 23367367
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
sodium 6-sulfo-1H-benzimidazole-4-sulfonate
CID 141120653
sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver
CID 173386436
2-(1H-benzimidazol-4-yl)propan-2-ol
CID 117277327
sodium;hydride;phenazine-1-sulfonic acid
CID 174984753
3-(1H-benzimidazol-4-yl)-3-methylbutanoic acid
CID 117310850
1-(1H-benzimidazol-4-yl)ethanamine
CID 82415420
1H-benzimidazole-4-carboxylic acid;2,3-diaminobenzoic acid
CID 174935397
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889

Frequently Asked Questions

What is the IUPAC name of sodium;1H-benzimidazole-4-sulfonic acid;hydride?
The IUPAC name of sodium;1H-benzimidazole-4-sulfonic acid;hydride (CID 173431906) is sodium;1H-benzimidazole-4-sulfonic acid;hydride.
What is the SMILES notation for sodium;1H-benzimidazole-4-sulfonic acid;hydride?
The canonical SMILES for sodium;1H-benzimidazole-4-sulfonic acid;hydride is O=S(=O)(O)c1cccc2[nH]cnc12.[H-].[Na+].
What is the InChIKey of sodium;1H-benzimidazole-4-sulfonic acid;hydride?
The InChIKey is DOHXTGCIPZNAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S.Na.H/c10-13(11,12)6-3-1-2-5-7(6)9-4-8-5;;/h1-4H,(H,8,9)(H,10,11,12);;/q;+1;-1.
What are the key properties of sodium;1H-benzimidazole-4-sulfonic acid;hydride?
sodium;1H-benzimidazole-4-sulfonic acid;hydride has a molecular weight of 222.20 g/mol, XLogP of -2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1H-benzimidazole-4-sulfonic acid;hydride is sourced from PubChem (CID 173431906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).