magnesium;5-aminonaphthalene-2-sulfonic acid;hydride

C10H11MgNO3S — CID 175063134

IUPACmagnesium;5-aminonaphthalene-2-sulfonic acid;hydride
SMILESNc1cccc2cc(S(=O)(=O)O)ccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H9NO3S.Mg.2H/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10;;;/h1-6H,11H2,(H,12,13,14);;;/q;+2;2*-1
InChIKeyJRZUNEISVVIGAA-UHFFFAOYSA-N
MW249.57 g/mol
LogP1.51
Rot. Bonds1

About magnesium;5-aminonaphthalene-2-sulfonic acid;hydride

magnesium;5-aminonaphthalene-2-sulfonic acid;hydride (PubChem CID 175063134) has the molecular formula C10H11MgNO3S and a molecular weight of 249.57 g/mol. Its IUPAC name is magnesium;5-aminonaphthalene-2-sulfonic acid;hydride.

Molecular Properties

Compound Namemagnesium;5-aminonaphthalene-2-sulfonic acid;hydride
PubChem CID175063134
Molecular FormulaC10H11MgNO3S
Molecular Weight249.57 g/mol
Exact Mass249.03
IUPAC Namemagnesium;5-aminonaphthalene-2-sulfonic acid;hydride
SMILESNc1cccc2cc(S(=O)(=O)O)ccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H9NO3S.Mg.2H/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10;;;/h1-6H,11H2,(H,12,13,14);;;/q;+2;2*-1
InChIKeyJRZUNEISVVIGAA-UHFFFAOYSA-N
XLogP1.51
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.57
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-aminoanthracene-2-sulfonic acid
CID 154193795
5-aminonaphthalene-2-sulfonate
CID 6994087
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
CID 174648265
5-methylsulfanylnaphthalene-2-sulfonic acid
CID 6611028
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135665142
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
CID 170845569
CID 170845569
naphthalene-2-sulfonic acid
CID 8420
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
5-(methylcarbamoyl)naphthalene-2-sulfonic acid
CID 163232980

Frequently Asked Questions

What is the IUPAC name of magnesium;5-aminonaphthalene-2-sulfonic acid;hydride?
The IUPAC name of magnesium;5-aminonaphthalene-2-sulfonic acid;hydride (CID 175063134) is magnesium;5-aminonaphthalene-2-sulfonic acid;hydride.
What is the SMILES notation for magnesium;5-aminonaphthalene-2-sulfonic acid;hydride?
The canonical SMILES for magnesium;5-aminonaphthalene-2-sulfonic acid;hydride is Nc1cccc2cc(S(=O)(=O)O)ccc12.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;5-aminonaphthalene-2-sulfonic acid;hydride?
The InChIKey is JRZUNEISVVIGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S.Mg.2H/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10;;;/h1-6H,11H2,(H,12,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;5-aminonaphthalene-2-sulfonic acid;hydride?
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride has a molecular weight of 249.57 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-aminonaphthalene-2-sulfonic acid;hydride is sourced from PubChem (CID 175063134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).