6-amino-5-sulfonaphthalene-2-carboxylic acid

C11H9NO5S — CID 15095377

IUPAC6-amino-5-sulfonaphthalene-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ccc2c1S(=O)(=O)O
InChIInChI=1S/C11H9NO5S/c12-9-4-2-6-5-7(11(13)14)1-3-8(6)10(9)18(15,16)17/h1-5H,12H2,(H,13,14)(H,15,16,17)
InChIKeyOINBRWZOQBCDOX-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.37
Rot. Bonds2

About 6-amino-5-sulfonaphthalene-2-carboxylic acid

6-amino-5-sulfonaphthalene-2-carboxylic acid (PubChem CID 15095377) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is 6-amino-5-sulfonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-sulfonaphthalene-2-carboxylic acid
PubChem CID15095377
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name6-amino-5-sulfonaphthalene-2-carboxylic acid
SMILESNc1ccc2cc(C(=O)O)ccc2c1S(=O)(=O)O
InChIInChI=1S/C11H9NO5S/c12-9-4-2-6-5-7(11(13)14)1-3-8(6)10(9)18(15,16)17/h1-5H,12H2,(H,13,14)(H,15,16,17)
InChIKeyOINBRWZOQBCDOX-UHFFFAOYSA-N
XLogP1.37
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
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

5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
2-amino-6-methylnaphthalene-1-sulfonic acid
CID 18729054
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
CID 67200510
CID 67200510
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
11,18-diamino-9,20-dioxo-12,17-disulfoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10(28),11,13,15,17,19(27),21(26),22,24-tridecaene-5,24-dicarboxylic acid
CID 176892419
2-aminonaphthalene-1,5-disulfonic acid;3-aminonaphthalene-2,7-disulfonic acid
CID 19890199
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
8-aminonaphthalene-2-carboxylic acid
CID 13440887

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-sulfonaphthalene-2-carboxylic acid?
The IUPAC name of 6-amino-5-sulfonaphthalene-2-carboxylic acid (CID 15095377) is 6-amino-5-sulfonaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-sulfonaphthalene-2-carboxylic acid?
The canonical SMILES for 6-amino-5-sulfonaphthalene-2-carboxylic acid is Nc1ccc2cc(C(=O)O)ccc2c1S(=O)(=O)O.
What is the InChIKey of 6-amino-5-sulfonaphthalene-2-carboxylic acid?
The InChIKey is OINBRWZOQBCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S/c12-9-4-2-6-5-7(11(13)14)1-3-8(6)10(9)18(15,16)17/h1-5H,12H2,(H,13,14)(H,15,16,17).
What are the key properties of 6-amino-5-sulfonaphthalene-2-carboxylic acid?
6-amino-5-sulfonaphthalene-2-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-sulfonaphthalene-2-carboxylic acid is sourced from PubChem (CID 15095377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).