(benzylamino)-hydroxy-oxoazanium;sulfuric acid

C7H11N2O6S+ — CID 70444817

IUPAC(benzylamino)-hydroxy-oxoazanium;sulfuric acid
SMILESO=S(=O)(O)O.O=[N+](O)NCc1ccccc1
InChIInChI=1S/C7H9N2O2.H2O4S/c10-9(11)8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8H,6H2,(H,10,11);(H2,1,2,3,4)/q+1;
InChIKeyQJDKJXHSLZWYJG-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.21
Rot. Bonds3

About (benzylamino)-hydroxy-oxoazanium;sulfuric acid

(benzylamino)-hydroxy-oxoazanium;sulfuric acid (PubChem CID 70444817) has the molecular formula C7H11N2O6S+ and a molecular weight of 251.24 g/mol. Its IUPAC name is (benzylamino)-hydroxy-oxoazanium;sulfuric acid.

Molecular Properties

Compound Name(benzylamino)-hydroxy-oxoazanium;sulfuric acid
PubChem CID70444817
Molecular FormulaC7H11N2O6S+
Molecular Weight251.24 g/mol
Exact Mass251.03
IUPAC Name(benzylamino)-hydroxy-oxoazanium;sulfuric acid
SMILESO=S(=O)(O)O.O=[N+](O)NCc1ccccc1
InChIInChI=1S/C7H9N2O2.H2O4S/c10-9(11)8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8H,6H2,(H,10,11);(H2,1,2,3,4)/q+1;
InChIKeyQJDKJXHSLZWYJG-UHFFFAOYSA-N
XLogP0.21
TPSA126.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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

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Frequently Asked Questions

What is the IUPAC name of (benzylamino)-hydroxy-oxoazanium;sulfuric acid?
The IUPAC name of (benzylamino)-hydroxy-oxoazanium;sulfuric acid (CID 70444817) is (benzylamino)-hydroxy-oxoazanium;sulfuric acid.
What is the SMILES notation for (benzylamino)-hydroxy-oxoazanium;sulfuric acid?
The canonical SMILES for (benzylamino)-hydroxy-oxoazanium;sulfuric acid is O=S(=O)(O)O.O=[N+](O)NCc1ccccc1.
What is the InChIKey of (benzylamino)-hydroxy-oxoazanium;sulfuric acid?
The InChIKey is QJDKJXHSLZWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O2.H2O4S/c10-9(11)8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5,8H,6H2,(H,10,11);(H2,1,2,3,4)/q+1;.
What are the key properties of (benzylamino)-hydroxy-oxoazanium;sulfuric acid?
(benzylamino)-hydroxy-oxoazanium;sulfuric acid has a molecular weight of 251.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylamino)-hydroxy-oxoazanium;sulfuric acid is sourced from PubChem (CID 70444817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).