5-aminoanthracene-2-sulfonic acid

C14H11NO3S — CID 154193795

IUPAC5-aminoanthracene-2-sulfonic acid
SMILESNc1cccc2cc3cc(S(=O)(=O)O)ccc3cc12
InChIInChI=1S/C14H11NO3S/c15-14-3-1-2-10-6-11-7-12(19(16,17)18)5-4-9(11)8-13(10)14/h1-8H,15H2,(H,16,17,18)
InChIKeyVEDFZJPQYOEHBR-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.82
Rot. Bonds1

About 5-aminoanthracene-2-sulfonic acid

5-aminoanthracene-2-sulfonic acid (PubChem CID 154193795) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-aminoanthracene-2-sulfonic acid.

Molecular Properties

Compound Name5-aminoanthracene-2-sulfonic acid
PubChem CID154193795
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name5-aminoanthracene-2-sulfonic acid
SMILESNc1cccc2cc3cc(S(=O)(=O)O)ccc3cc12
InChIInChI=1S/C14H11NO3S/c15-14-3-1-2-10-6-11-7-12(19(16,17)18)5-4-9(11)8-13(10)14/h1-8H,15H2,(H,16,17,18)
InChIKeyVEDFZJPQYOEHBR-UHFFFAOYSA-N
XLogP2.82
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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
tetracene-2-sulfonic acid
CID 21483873
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2-sulfonic acid
CID 8420
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
naphthalene-2-sulfonic acid;zinc
CID 87263273
naphthalene-2,3,6-trisulfonic acid
CID 42609669
CID 87246277
CID 87246277
CID 88530425
CID 88530425
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
Dispersing Agent NNO
CID 156594502
3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
CID 162118407

Frequently Asked Questions

What is the IUPAC name of 5-aminoanthracene-2-sulfonic acid?
The IUPAC name of 5-aminoanthracene-2-sulfonic acid (CID 154193795) is 5-aminoanthracene-2-sulfonic acid.
What is the SMILES notation for 5-aminoanthracene-2-sulfonic acid?
The canonical SMILES for 5-aminoanthracene-2-sulfonic acid is Nc1cccc2cc3cc(S(=O)(=O)O)ccc3cc12.
What is the InChIKey of 5-aminoanthracene-2-sulfonic acid?
The InChIKey is VEDFZJPQYOEHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c15-14-3-1-2-10-6-11-7-12(19(16,17)18)5-4-9(11)8-13(10)14/h1-8H,15H2,(H,16,17,18).
What are the key properties of 5-aminoanthracene-2-sulfonic acid?
5-aminoanthracene-2-sulfonic acid has a molecular weight of 273.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoanthracene-2-sulfonic acid is sourced from PubChem (CID 154193795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).