sodium;4-diazenylbenzenesulfonic acid;hydride

C6H7N2NaO3S — CID 174985834

IUPACsodium;4-diazenylbenzenesulfonic acid;hydride
SMILES[H-].[H]/N=N/c1ccc(S(=O)(=O)O)cc1.[Na+]
InChIInChI=1S/C6H6N2O3S.Na.H/c7-8-5-1-3-6(4-2-5)12(9,10)11;;/h1-4,7H,(H,9,10,11);;/q;+1;-1/b8-7+;;
InChIKeyLKQDDPQNYNMFBS-MIIBGCIDSA-N
MW210.19 g/mol
LogP-1.29
Rot. Bonds2

About sodium;4-diazenylbenzenesulfonic acid;hydride

sodium;4-diazenylbenzenesulfonic acid;hydride (PubChem CID 174985834) has the molecular formula C6H7N2NaO3S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium;4-diazenylbenzenesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-diazenylbenzenesulfonic acid;hydride
PubChem CID174985834
Molecular FormulaC6H7N2NaO3S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Namesodium;4-diazenylbenzenesulfonic acid;hydride
SMILES[H-].[H]/N=N/c1ccc(S(=O)(=O)O)cc1.[Na+]
InChIInChI=1S/C6H6N2O3S.Na.H/c7-8-5-1-3-6(4-2-5)12(9,10)11;;/h1-4,7H,(H,9,10,11);;/q;+1;-1/b8-7+;;
InChIKeyLKQDDPQNYNMFBS-MIIBGCIDSA-N
XLogP-1.29
TPSA90.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tetrasodium;2-(4-diazenylphenyl)sulfonylethyl hydrogen sulfate;hydride
CID 174568998
sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525
sodium;4-isothiocyanatobenzenesulfonic acid;hydrate
CID 22715635
4-bromobenzenesulfonic acid;indigane
CID 173230394
sodium;4-sulfophenolate;dihydrate
CID 131664379
sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid
CID 173457046
4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
disodium;benzenesulfonic acid;sulfate
CID 159561788
sodium;4-diiodoarsanylbenzenesulfonic acid;hydride
CID 173128995
4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
CID 166600375
tricalcium;benzenesulfonic acid;hydride
CID 173198982

Frequently Asked Questions

What is the IUPAC name of sodium;4-diazenylbenzenesulfonic acid;hydride?
The IUPAC name of sodium;4-diazenylbenzenesulfonic acid;hydride (CID 174985834) is sodium;4-diazenylbenzenesulfonic acid;hydride.
What is the SMILES notation for sodium;4-diazenylbenzenesulfonic acid;hydride?
The canonical SMILES for sodium;4-diazenylbenzenesulfonic acid;hydride is [H-].[H]/N=N/c1ccc(S(=O)(=O)O)cc1.[Na+].
What is the InChIKey of sodium;4-diazenylbenzenesulfonic acid;hydride?
The InChIKey is LKQDDPQNYNMFBS-MIIBGCIDSA-N. The full InChI is InChI=1S/C6H6N2O3S.Na.H/c7-8-5-1-3-6(4-2-5)12(9,10)11;;/h1-4,7H,(H,9,10,11);;/q;+1;-1/b8-7+;;.
What are the key properties of sodium;4-diazenylbenzenesulfonic acid;hydride?
sodium;4-diazenylbenzenesulfonic acid;hydride has a molecular weight of 210.19 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-diazenylbenzenesulfonic acid;hydride is sourced from PubChem (CID 174985834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).