7-hydroxynaphthalene-1,2-disulfonic acid

C10H8O7S2 — CID 101310160

IUPAC7-hydroxynaphthalene-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2ccc(O)cc2c1S(=O)(=O)O
InChIInChI=1S/C10H8O7S2/c11-7-3-1-6-2-4-9(18(12,13)14)10(8(6)5-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKeyCMWRAIDCLGIRJN-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.04
Rot. Bonds2

About 7-hydroxynaphthalene-1,2-disulfonic acid

7-hydroxynaphthalene-1,2-disulfonic acid (PubChem CID 101310160) has the molecular formula C10H8O7S2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 7-hydroxynaphthalene-1,2-disulfonic acid.

Molecular Properties

Compound Name7-hydroxynaphthalene-1,2-disulfonic acid
PubChem CID101310160
Molecular FormulaC10H8O7S2
Molecular Weight304.30 g/mol
Exact Mass303.97
IUPAC Name7-hydroxynaphthalene-1,2-disulfonic acid
SMILESO=S(=O)(O)c1ccc2ccc(O)cc2c1S(=O)(=O)O
InChIInChI=1S/C10H8O7S2/c11-7-3-1-6-2-4-9(18(12,13)14)10(8(6)5-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChIKeyCMWRAIDCLGIRJN-UHFFFAOYSA-N
XLogP1.04
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hydroxynaphthalene-1,2-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173016081
CID 173016081
6-hydroxy-2-methylnaphthalene-1-sulfonic acid
CID 147399742
azane;2,4-dihydroxybenzenesulfonic acid
CID 131881093
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
1-(4-hydroxy-2-sulfoanilino)naphthalene-2-sulfonic acid
CID 87973150
acridine-1,2-disulfonic acid
CID 151823397
1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid
CID 88674166
cyclohexa-2,5-diene-1,4-dione;phenanthrene-1,2-disulfonic acid
CID 87630571
dipotassium;6-oxido-1-sulfonaphthalene-2-sulfonate
CID 101310192
7-hydroxynaphthalene-1,3-disulfonyl chloride
CID 86634467
2-cyano-4-hydroxybenzenesulfonic acid
CID 118599761
2,7-ditert-butylnaphthalene-1-sulfonic acid
CID 14761

Frequently Asked Questions

What is the IUPAC name of 7-hydroxynaphthalene-1,2-disulfonic acid?
The IUPAC name of 7-hydroxynaphthalene-1,2-disulfonic acid (CID 101310160) is 7-hydroxynaphthalene-1,2-disulfonic acid.
What is the SMILES notation for 7-hydroxynaphthalene-1,2-disulfonic acid?
The canonical SMILES for 7-hydroxynaphthalene-1,2-disulfonic acid is O=S(=O)(O)c1ccc2ccc(O)cc2c1S(=O)(=O)O.
What is the InChIKey of 7-hydroxynaphthalene-1,2-disulfonic acid?
The InChIKey is CMWRAIDCLGIRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O7S2/c11-7-3-1-6-2-4-9(18(12,13)14)10(8(6)5-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17).
What are the key properties of 7-hydroxynaphthalene-1,2-disulfonic acid?
7-hydroxynaphthalene-1,2-disulfonic acid has a molecular weight of 304.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxynaphthalene-1,2-disulfonic acid is sourced from PubChem (CID 101310160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).