magnesium 8-aminonaphthalene-1-sulfonate

C10H8MgNO3S+ — CID 3017064

IUPACmagnesium 8-aminonaphthalene-1-sulfonate
SMILESNc1cccc2cccc(S(=O)(=O)[O-])c12.[Mg+2]
InChIInChI=1S/C10H9NO3S.Mg/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+2/p-1
InChIKeySJAGPYCTLKCRFH-UHFFFAOYSA-M
MW246.55 g/mol
LogP0.95
Rot. Bonds1

About magnesium 8-aminonaphthalene-1-sulfonate

magnesium 8-aminonaphthalene-1-sulfonate (PubChem CID 3017064) has the molecular formula C10H8MgNO3S+ and a molecular weight of 246.55 g/mol. Its IUPAC name is magnesium 8-aminonaphthalene-1-sulfonate.

Molecular Properties

Compound Namemagnesium 8-aminonaphthalene-1-sulfonate
PubChem CID3017064
Molecular FormulaC10H8MgNO3S+
Molecular Weight246.55 g/mol
Exact Mass246.01
IUPAC Namemagnesium 8-aminonaphthalene-1-sulfonate
SMILESNc1cccc2cccc(S(=O)(=O)[O-])c12.[Mg+2]
InChIInChI=1S/C10H9NO3S.Mg/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+2/p-1
InChIKeySJAGPYCTLKCRFH-UHFFFAOYSA-M
XLogP0.95
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.55
LogP ≤ 50.95
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'}

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Related Compounds

lithium 2-aminobenzenesulfonate
CID 59248314
sodium 8-hydroxynaphthalene-1-sulfonate
CID 23672328
8-amino-N,N-dimethylnaphthalene-1-sulfonamide
CID 19430009
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
sodium 8-methylnaphthalene-1-sulfonate
CID 101315117
dilithium;2-aminobenzene-1,3-disulfonate
CID 101305541
sodium 3-amino-2-methylbenzenesulfonate
CID 101303613
8-cyanonaphthalene-1-sulfonate
CID 4578291
potassium 3-amino-2-nitrobenzenesulfonate
CID 101305376
sodium 3-amino-2-nitrobenzenesulfonate
CID 101305367
ethane;naphthalene-1,8-diamine
CID 90905453
zinc;naphthalene-1,5-disulfonate;quinolin-8-amine
CID 175009147

Frequently Asked Questions

What is the IUPAC name of magnesium 8-aminonaphthalene-1-sulfonate?
The IUPAC name of magnesium 8-aminonaphthalene-1-sulfonate (CID 3017064) is magnesium 8-aminonaphthalene-1-sulfonate.
What is the SMILES notation for magnesium 8-aminonaphthalene-1-sulfonate?
The canonical SMILES for magnesium 8-aminonaphthalene-1-sulfonate is Nc1cccc2cccc(S(=O)(=O)[O-])c12.[Mg+2].
What is the InChIKey of magnesium 8-aminonaphthalene-1-sulfonate?
The InChIKey is SJAGPYCTLKCRFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S.Mg/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+2/p-1.
What are the key properties of magnesium 8-aminonaphthalene-1-sulfonate?
magnesium 8-aminonaphthalene-1-sulfonate has a molecular weight of 246.55 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 8-aminonaphthalene-1-sulfonate is sourced from PubChem (CID 3017064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).