sodium 2-hydrazinylbenzenesulfonate

C6H7N2NaO3S — CID 23680694

IUPACsodium 2-hydrazinylbenzenesulfonate
SMILESNNc1ccccc1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C6H8N2O3S.Na/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);/q;+1/p-1
InChIKeyZXMPZTPSTCRUJX-UHFFFAOYSA-M
MW210.19 g/mol
LogP-3.12
Rot. Bonds2

About sodium 2-hydrazinylbenzenesulfonate

sodium 2-hydrazinylbenzenesulfonate (PubChem CID 23680694) has the molecular formula C6H7N2NaO3S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium 2-hydrazinylbenzenesulfonate.

Molecular Properties

Compound Namesodium 2-hydrazinylbenzenesulfonate
PubChem CID23680694
Molecular FormulaC6H7N2NaO3S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Namesodium 2-hydrazinylbenzenesulfonate
SMILESNNc1ccccc1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C6H8N2O3S.Na/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);/q;+1/p-1
InChIKeyZXMPZTPSTCRUJX-UHFFFAOYSA-M
XLogP-3.12
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-3.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydrazinylbenzenesulfonate?
The IUPAC name of sodium 2-hydrazinylbenzenesulfonate (CID 23680694) is sodium 2-hydrazinylbenzenesulfonate.
What is the SMILES notation for sodium 2-hydrazinylbenzenesulfonate?
The canonical SMILES for sodium 2-hydrazinylbenzenesulfonate is NNc1ccccc1S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-hydrazinylbenzenesulfonate?
The InChIKey is ZXMPZTPSTCRUJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3S.Na/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium 2-hydrazinylbenzenesulfonate?
sodium 2-hydrazinylbenzenesulfonate has a molecular weight of 210.19 g/mol, XLogP of -3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydrazinylbenzenesulfonate is sourced from PubChem (CID 23680694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).