potassium 2-aminonaphthalene-1-sulfonate

C10H8KNO3S — CID 23709766

IUPACpotassium 2-aminonaphthalene-1-sulfonate
SMILESNc1ccc2ccccc2c1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C10H9NO3S.K/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
InChIKeyLTFVNNRTVVCBNS-UHFFFAOYSA-M
MW261.34 g/mol
LogP-1.67
Rot. Bonds1

About potassium 2-aminonaphthalene-1-sulfonate

potassium 2-aminonaphthalene-1-sulfonate (PubChem CID 23709766) has the molecular formula C10H8KNO3S and a molecular weight of 261.34 g/mol. Its IUPAC name is potassium 2-aminonaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 2-aminonaphthalene-1-sulfonate
PubChem CID23709766
Molecular FormulaC10H8KNO3S
Molecular Weight261.34 g/mol
Exact Mass260.99
IUPAC Namepotassium 2-aminonaphthalene-1-sulfonate
SMILESNc1ccc2ccccc2c1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C10H9NO3S.K/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
InChIKeyLTFVNNRTVVCBNS-UHFFFAOYSA-M
XLogP-1.67
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2-aminonaphthalene-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)
CID 139070934
2-bromonaphthalene-1-sulfonate
CID 4608658
tris(naphthalene-1,2-disulfonate);bis(neodymium(3+))
CID 141227115
sodium (2-aminonaphthalen-1-yl) sulfate
CID 175508188
sodium 2-ethenylnaphthalene-1-sulfonate
CID 86612695
disodium;2-aminonaphthalene-1,3-disulfonate
CID 101310222
copper bis(2-butylnaphthalene-1-sulfonate)
CID 22368607
potassium 2-(4-methylpentyl)naphthalene-1-sulfonate
CID 166707046
potassium 1-methylnaphthalene-2-sulfonate
CID 101317089
sodium 2-docosylnaphthalene-1-sulfonate
CID 23675364
cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)
CID 21277425
disodium;3-methyl-2-[(3-methyl-1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate
CID 175893020

Frequently Asked Questions

What is the IUPAC name of potassium 2-aminonaphthalene-1-sulfonate?
The IUPAC name of potassium 2-aminonaphthalene-1-sulfonate (CID 23709766) is potassium 2-aminonaphthalene-1-sulfonate.
What is the SMILES notation for potassium 2-aminonaphthalene-1-sulfonate?
The canonical SMILES for potassium 2-aminonaphthalene-1-sulfonate is Nc1ccc2ccccc2c1S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-aminonaphthalene-1-sulfonate?
The InChIKey is LTFVNNRTVVCBNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S.K/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of potassium 2-aminonaphthalene-1-sulfonate?
potassium 2-aminonaphthalene-1-sulfonate has a molecular weight of 261.34 g/mol, XLogP of -1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-aminonaphthalene-1-sulfonate is sourced from PubChem (CID 23709766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).