(4-amino-2-sulfophenyl)-methoxy-oxoazanium

C7H9N2O5S+ — CID 142839070

IUPAC(4-amino-2-sulfophenyl)-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(N)cc1S(=O)(=O)O
InChIInChI=1S/C7H8N2O5S/c1-14-9(10)6-3-2-5(8)4-7(6)15(11,12)13/h2-4H,8H2,1H3/p+1
InChIKeyUEVISKOTOYONPV-UHFFFAOYSA-O
MW233.22 g/mol
LogP0.49
Rot. Bonds3

About (4-amino-2-sulfophenyl)-methoxy-oxoazanium

(4-amino-2-sulfophenyl)-methoxy-oxoazanium (PubChem CID 142839070) has the molecular formula C7H9N2O5S+ and a molecular weight of 233.22 g/mol. Its IUPAC name is (4-amino-2-sulfophenyl)-methoxy-oxoazanium.

Molecular Properties

Compound Name(4-amino-2-sulfophenyl)-methoxy-oxoazanium
PubChem CID142839070
Molecular FormulaC7H9N2O5S+
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name(4-amino-2-sulfophenyl)-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(N)cc1S(=O)(=O)O
InChIInChI=1S/C7H8N2O5S/c1-14-9(10)6-3-2-5(8)4-7(6)15(11,12)13/h2-4H,8H2,1H3/p+1
InChIKeyUEVISKOTOYONPV-UHFFFAOYSA-O
XLogP0.49
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

5-amino-2-[2-(4-amino-2-sulfophenyl)ethyl]benzenesulfonic acid
CID 5134319
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
5-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]benzenesulfonic acid
CID 155647624
3-amino-2-methoxy-4-nitrobenzenesulfonic acid
CID 170850512
4-amino-2-sulfanylbenzenesulfonic acid
CID 23287472
4-amino-2-(3-methoxyprop-2-enyl)benzenesulfonic acid
CID 174737488
2,5-diaminobenzenesulfonic acid;2,5-diaminobenzoic acid;ethane
CID 144898588
potassium 5-amino-2-sulfophenolate
CID 101303999
6-(4-CHLORO-M-TOLYLOXY)-METANILIC ACID, SODIUM SALT
CID 126960064
5-amino-2-[(E)-2-(5-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 159487607
2-acetamido-4-aminobenzenesulfonic acid
CID 19766995
5-amino-2-(4-amino-2-sulfophenyl)-3,4-dimethylbenzenesulfonic acid
CID 20544656

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-sulfophenyl)-methoxy-oxoazanium?
The IUPAC name of (4-amino-2-sulfophenyl)-methoxy-oxoazanium (CID 142839070) is (4-amino-2-sulfophenyl)-methoxy-oxoazanium.
What is the SMILES notation for (4-amino-2-sulfophenyl)-methoxy-oxoazanium?
The canonical SMILES for (4-amino-2-sulfophenyl)-methoxy-oxoazanium is CO[N+](=O)c1ccc(N)cc1S(=O)(=O)O.
What is the InChIKey of (4-amino-2-sulfophenyl)-methoxy-oxoazanium?
The InChIKey is UEVISKOTOYONPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N2O5S/c1-14-9(10)6-3-2-5(8)4-7(6)15(11,12)13/h2-4H,8H2,1H3/p+1.
What are the key properties of (4-amino-2-sulfophenyl)-methoxy-oxoazanium?
(4-amino-2-sulfophenyl)-methoxy-oxoazanium has a molecular weight of 233.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-sulfophenyl)-methoxy-oxoazanium is sourced from PubChem (CID 142839070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).