potassium 5-amino-2-sulfophenolate

C6H6KNO4S — CID 101303999

IUPACpotassium 5-amino-2-sulfophenolate
SMILESNc1ccc(S(=O)(=O)O)c([O-])c1.[K+]
InChIInChI=1S/C6H7NO4S.K/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3,8H,7H2,(H,9,10,11);/q;+1/p-1
InChIKeyYQXZKRMGKMSFNF-UHFFFAOYSA-M
MW227.28 g/mol
LogP-3.41
Rot. Bonds1

About potassium 5-amino-2-sulfophenolate

potassium 5-amino-2-sulfophenolate (PubChem CID 101303999) has the molecular formula C6H6KNO4S and a molecular weight of 227.28 g/mol. Its IUPAC name is potassium 5-amino-2-sulfophenolate.

Molecular Properties

Compound Namepotassium 5-amino-2-sulfophenolate
PubChem CID101303999
Molecular FormulaC6H6KNO4S
Molecular Weight227.28 g/mol
Exact Mass226.97
IUPAC Namepotassium 5-amino-2-sulfophenolate
SMILESNc1ccc(S(=O)(=O)O)c([O-])c1.[K+]
InChIInChI=1S/C6H7NO4S.K/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3,8H,7H2,(H,9,10,11);/q;+1/p-1
InChIKeyYQXZKRMGKMSFNF-UHFFFAOYSA-M
XLogP-3.41
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 5-3.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium 5-methyl-2-sulfophenolate
CID 101301357
4-amino-2-sulfanylbenzenesulfonic acid
CID 23287472
CID 175222790
CID 175222790
5-amino-2-[2-(4-amino-2-sulfophenyl)ethyl]benzenesulfonic acid
CID 5134319
5-amino-2-[(E)-2-(5-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 159487607
2-acetamido-4-aminobenzenesulfonic acid
CID 19766995
disodium;4-amino-2-oxido-6-sulfobenzoate
CID 101305665
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
4-amino-2-(2-bromoacetyl)benzenesulfonic acid
CID 21152115
6-amino-3-sulfonaphthalen-1-olate
CID 163421905
potassium 2-amino-3-chloro-6-sulfophenolate
CID 101305431
3,6-diaminonaphthalene-2-sulfonic acid
CID 87527347

Frequently Asked Questions

What is the IUPAC name of potassium 5-amino-2-sulfophenolate?
The IUPAC name of potassium 5-amino-2-sulfophenolate (CID 101303999) is potassium 5-amino-2-sulfophenolate.
What is the SMILES notation for potassium 5-amino-2-sulfophenolate?
The canonical SMILES for potassium 5-amino-2-sulfophenolate is Nc1ccc(S(=O)(=O)O)c([O-])c1.[K+].
What is the InChIKey of potassium 5-amino-2-sulfophenolate?
The InChIKey is YQXZKRMGKMSFNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO4S.K/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3,8H,7H2,(H,9,10,11);/q;+1/p-1.
What are the key properties of potassium 5-amino-2-sulfophenolate?
potassium 5-amino-2-sulfophenolate has a molecular weight of 227.28 g/mol, XLogP of -3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-amino-2-sulfophenolate is sourced from PubChem (CID 101303999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).