iron;6-methoxynaphthalene-2-sulfonic acid

C11H10FeO4S — CID 87610362

IUPACiron;6-methoxynaphthalene-2-sulfonic acid
SMILESCOc1ccc2cc(S(=O)(=O)O)ccc2c1.[Fe]
InChIInChI=1S/C11H10O4S.Fe/c1-15-10-4-2-9-7-11(16(12,13)14)5-3-8(9)6-10;/h2-7H,1H3,(H,12,13,14);
InChIKeyHTFMJSBWCXQCBE-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.09
Rot. Bonds2

About iron;6-methoxynaphthalene-2-sulfonic acid

iron;6-methoxynaphthalene-2-sulfonic acid (PubChem CID 87610362) has the molecular formula C11H10FeO4S and a molecular weight of 294.11 g/mol. Its IUPAC name is iron;6-methoxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Nameiron;6-methoxynaphthalene-2-sulfonic acid
PubChem CID87610362
Molecular FormulaC11H10FeO4S
Molecular Weight294.11 g/mol
Exact Mass293.96
IUPAC Nameiron;6-methoxynaphthalene-2-sulfonic acid
SMILESCOc1ccc2cc(S(=O)(=O)O)ccc2c1.[Fe]
InChIInChI=1S/C11H10O4S.Fe/c1-15-10-4-2-9-7-11(16(12,13)14)5-3-8(9)6-10;/h2-7H,1H3,(H,12,13,14);
InChIKeyHTFMJSBWCXQCBE-UHFFFAOYSA-N
XLogP2.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonic acid
CID 22352895
4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)-N-(4-methoxyphenyl)anilino]benzenesulfonic acid
CID 146021321
naphthalene-2-sulfonic acid
CID 8420
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
naphthalene-2,3,6-trisulfonic acid
CID 42609669
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
tetracene-2-sulfonic acid
CID 21483873
CID 88530425
CID 88530425

Frequently Asked Questions

What is the IUPAC name of iron;6-methoxynaphthalene-2-sulfonic acid?
The IUPAC name of iron;6-methoxynaphthalene-2-sulfonic acid (CID 87610362) is iron;6-methoxynaphthalene-2-sulfonic acid.
What is the SMILES notation for iron;6-methoxynaphthalene-2-sulfonic acid?
The canonical SMILES for iron;6-methoxynaphthalene-2-sulfonic acid is COc1ccc2cc(S(=O)(=O)O)ccc2c1.[Fe].
What is the InChIKey of iron;6-methoxynaphthalene-2-sulfonic acid?
The InChIKey is HTFMJSBWCXQCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S.Fe/c1-15-10-4-2-9-7-11(16(12,13)14)5-3-8(9)6-10;/h2-7H,1H3,(H,12,13,14);.
What are the key properties of iron;6-methoxynaphthalene-2-sulfonic acid?
iron;6-methoxynaphthalene-2-sulfonic acid has a molecular weight of 294.11 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron;6-methoxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 87610362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).