magnesium 8-anilinonaphthalene-1-sulfonic acid

C16H13MgNO3S+2 — CID 23615490

IUPACmagnesium 8-anilinonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12.[Mg+2]
InChIInChI=1S/C16H13NO3S.Mg/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);/q;+2
InChIKeyMWWUHFLEYGNSNM-UHFFFAOYSA-N
MW323.66 g/mol
LogP3.45
Rot. Bonds3

About magnesium 8-anilinonaphthalene-1-sulfonic acid

magnesium 8-anilinonaphthalene-1-sulfonic acid (PubChem CID 23615490) has the molecular formula C16H13MgNO3S+2 and a molecular weight of 323.66 g/mol. Its IUPAC name is magnesium 8-anilinonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Namemagnesium 8-anilinonaphthalene-1-sulfonic acid
PubChem CID23615490
Molecular FormulaC16H13MgNO3S+2
Molecular Weight323.66 g/mol
Exact Mass323.05
IUPAC Namemagnesium 8-anilinonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12.[Mg+2]
InChIInChI=1S/C16H13NO3S.Mg/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);/q;+2
InChIKeyMWWUHFLEYGNSNM-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.66
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(benzylamino)naphthalene-1-sulfonic acid
CID 58031866
8-anilinonaphthalene-1-sulfonic acid;(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
CID 87929457
[carbamoyl(methyl)amino] 8-anilinonaphthalene-1-sulfonate
CID 91164880
sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173415601
4-anilinonaphthalene-1-sulfonic acid
CID 23333412
4,5-diamino-2-anilinobenzenesulfonic acid
CID 151889508
8-anilino-5-[2-[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]hydrazinyl]naphthalene-1-sulfonic acid
CID 147459915
8-[(2-cyanoacetyl)amino]naphthalene-1-sulfonic acid
CID 168524341
8-(2,2-dimethylbutanoylamino)naphthalene-1-sulfonic acid
CID 59749914
1-anilinonaphthalene-2-sulfonic acid
CID 14694055
N-phenylaniline;sulfuric acid
CID 11486
8-anilino-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 170552216

Frequently Asked Questions

What is the IUPAC name of magnesium 8-anilinonaphthalene-1-sulfonic acid?
The IUPAC name of magnesium 8-anilinonaphthalene-1-sulfonic acid (CID 23615490) is magnesium 8-anilinonaphthalene-1-sulfonic acid.
What is the SMILES notation for magnesium 8-anilinonaphthalene-1-sulfonic acid?
The canonical SMILES for magnesium 8-anilinonaphthalene-1-sulfonic acid is O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12.[Mg+2].
What is the InChIKey of magnesium 8-anilinonaphthalene-1-sulfonic acid?
The InChIKey is MWWUHFLEYGNSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S.Mg/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);/q;+2.
What are the key properties of magnesium 8-anilinonaphthalene-1-sulfonic acid?
magnesium 8-anilinonaphthalene-1-sulfonic acid has a molecular weight of 323.66 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 8-anilinonaphthalene-1-sulfonic acid is sourced from PubChem (CID 23615490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).