5-aminonaphthalene-2-sulfonate

C10H8NO3S- — CID 6994087

IUPAC5-aminonaphthalene-2-sulfonate
SMILESNc1cccc2cc(S(=O)(=O)[O-])ccc12
InChIInChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)/p-1
InChIKeyUWPJYQYRSWYIGZ-UHFFFAOYSA-M
MW222.25 g/mol
LogP1.33
Rot. Bonds1

About 5-aminonaphthalene-2-sulfonate

5-aminonaphthalene-2-sulfonate (PubChem CID 6994087) has the molecular formula C10H8NO3S- and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-aminonaphthalene-2-sulfonate.

Molecular Properties

Compound Name5-aminonaphthalene-2-sulfonate
PubChem CID6994087
Molecular FormulaC10H8NO3S-
Molecular Weight222.25 g/mol
Exact Mass222.02
IUPAC Name5-aminonaphthalene-2-sulfonate
SMILESNc1cccc2cc(S(=O)(=O)[O-])ccc12
InChIInChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)/p-1
InChIKeyUWPJYQYRSWYIGZ-UHFFFAOYSA-M
XLogP1.33
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.33
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

magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
disodium;naphthalene-1,6-disulfonate
CID 45358177
5-aminoanthracene-2-sulfonic acid
CID 154193795
potassium 3-aminobenzenesulfonate
CID 23716245
methylsulfonylmethane;naphthalen-1-amine
CID 158608928
CID 135259743
CID 135259743
potassium 5-tetradecylnaphthalene-2-sulfonate
CID 101317264
anthracene-2,6-disulfonate;bis(diaminomethylideneazanium);pyrene
CID 139120228
1-(5-aminonaphthalen-2-yl)ethanone
CID 115016880
naphthalene-1,6-diamine;naphthalene-1,8-diamine
CID 158469220
[(2S,4S)-1-(5-aminonaphthalen-2-yl)sulfonyl-4-methoxypyrrolidin-2-yl]methanol
CID 138015263
disodium;4-amino-3-hydroxynaphthalene-2,7-disulfonate
CID 16176

Frequently Asked Questions

What is the IUPAC name of 5-aminonaphthalene-2-sulfonate?
The IUPAC name of 5-aminonaphthalene-2-sulfonate (CID 6994087) is 5-aminonaphthalene-2-sulfonate.
What is the SMILES notation for 5-aminonaphthalene-2-sulfonate?
The canonical SMILES for 5-aminonaphthalene-2-sulfonate is Nc1cccc2cc(S(=O)(=O)[O-])ccc12.
What is the InChIKey of 5-aminonaphthalene-2-sulfonate?
The InChIKey is UWPJYQYRSWYIGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)/p-1.
What are the key properties of 5-aminonaphthalene-2-sulfonate?
5-aminonaphthalene-2-sulfonate has a molecular weight of 222.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminonaphthalene-2-sulfonate is sourced from PubChem (CID 6994087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).