sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate

C7H7N2NaO4S — CID 122207686

IUPACsodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate
SMILESN/N=C\c1cc(S(=O)(=O)O)ccc1[O-].[Na+]
InChIInChI=1S/C7H8N2O4S.Na/c8-9-4-5-3-6(14(11,12)13)1-2-7(5)10;/h1-4,10H,8H2,(H,11,12,13);/q;+1/p-1/b9-4-;
InChIKeyLWCWCZJQNVVKED-WONROIIJSA-M
MW238.20 g/mol
LogP-3.70
Rot. Bonds2

About sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate

sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate (PubChem CID 122207686) has the molecular formula C7H7N2NaO4S and a molecular weight of 238.20 g/mol. Its IUPAC name is sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate.

Molecular Properties

Compound Namesodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate
PubChem CID122207686
Molecular FormulaC7H7N2NaO4S
Molecular Weight238.20 g/mol
Exact Mass238.00
IUPAC Namesodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate
SMILESN/N=C\c1cc(S(=O)(=O)O)ccc1[O-].[Na+]
InChIInChI=1S/C7H8N2O4S.Na/c8-9-4-5-3-6(14(11,12)13)1-2-7(5)10;/h1-4,10H,8H2,(H,11,12,13);/q;+1/p-1/b9-4-;
InChIKeyLWCWCZJQNVVKED-WONROIIJSA-M
XLogP-3.70
TPSA115.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-3.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-methanehydrazonoylbenzene-1,3-disulfonic acid
CID 88636165
4-methanehydrazonoylbenzenesulfonic acid
CID 168530932
CID 87885081
CID 87885081
2-diazonio-4-sulfophenolate
CID 15131536
4-amino-3-ethenylbenzenesulfonic acid
CID 59131566
sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid
CID 174574103
4-[(Z)-hydroxyiminomethyl]benzene-1,3-disulfonic acid
CID 172922942
cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
CID 6711571
3-hydroxy-4-[2-[(2-hydroxy-4-sulfophenyl)methylideneamino]ethyliminomethyl]benzenesulfonic acid
CID 135800105
4-carboxy-2-formylphenolate
CID 54710110
disodium;2-methyl-6-[2-[(3-methyl-2-oxido-5-sulfophenyl)methylideneamino]ethyliminomethyl]-4-sulfophenolate
CID 102523980
3-iodo-2H-indazole-5-sulfonic acid
CID 91245688

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate?
The IUPAC name of sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate (CID 122207686) is sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate.
What is the SMILES notation for sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate?
The canonical SMILES for sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate is N/N=C\c1cc(S(=O)(=O)O)ccc1[O-].[Na+].
What is the InChIKey of sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate?
The InChIKey is LWCWCZJQNVVKED-WONROIIJSA-M. The full InChI is InChI=1S/C7H8N2O4S.Na/c8-9-4-5-3-6(14(11,12)13)1-2-7(5)10;/h1-4,10H,8H2,(H,11,12,13);/q;+1/p-1/b9-4-;.
What are the key properties of sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate?
sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate has a molecular weight of 238.20 g/mol, XLogP of -3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate is sourced from PubChem (CID 122207686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).