sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride

C6H7NNaO5S+ — CID 173459838

IUPACsodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride
SMILESO=[N+](O)OS(=O)(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6NO5S.Na.H/c8-7(9)12-13(10,11)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;/q2*+1;-1
InChIKeyNKSXJXYBTVQNIV-UHFFFAOYSA-N
MW228.18 g/mol
LogP-2.41
Rot. Bonds3

About sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride

sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride (PubChem CID 173459838) has the molecular formula C6H7NNaO5S+ and a molecular weight of 228.18 g/mol. Its IUPAC name is sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride.

Molecular Properties

Compound Namesodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride
PubChem CID173459838
Molecular FormulaC6H7NNaO5S+
Molecular Weight228.18 g/mol
Exact Mass227.99
IUPAC Namesodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride
SMILESO=[N+](O)OS(=O)(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6NO5S.Na.H/c8-7(9)12-13(10,11)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;/q2*+1;-1
InChIKeyNKSXJXYBTVQNIV-UHFFFAOYSA-N
XLogP-2.41
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium sulfido benzenesulfonate
CID 58825267
fluoro benzenesulfonate
CID 145272167
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
sodium;4-(benzenesulfonyloxy)benzoic acid;hydride
CID 174651496
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
amino benzenesulfonate;zinc
CID 175523856
CID 87966251
CID 87966251
tricalcium;benzenesulfonic acid;hydride
CID 173198982
disodium;benzenesulfonamide;hydride
CID 174402178
nitroso benzenesulfonate
CID 88672539
bis(benzenesulfonyloxy)-oxophosphanium
CID 87283372
[3-(benzenesulfonyloxy)-2-hydroxy-5-nitrophenyl] benzenesulfonate
CID 45113894

Frequently Asked Questions

What is the IUPAC name of sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride?
The IUPAC name of sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride (CID 173459838) is sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride.
What is the SMILES notation for sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride?
The canonical SMILES for sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride is O=[N+](O)OS(=O)(=O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride?
The InChIKey is NKSXJXYBTVQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO5S.Na.H/c8-7(9)12-13(10,11)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;/q2*+1;-1.
What are the key properties of sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride?
sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride has a molecular weight of 228.18 g/mol, XLogP of -2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzenesulfonyloxy-hydroxy-oxoazanium;hydride is sourced from PubChem (CID 173459838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).