7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid

C10H8O6S2 — CID 20586983

IUPAC7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2ccc(SOO)cc2c1
InChIInChI=1S/C10H8O6S2/c11-10-5-8(18(13,14)15)4-6-3-7(17-16-12)1-2-9(6)10/h1-5,11-12H,(H,13,14,15)
InChIKeyMJRRVKFWXOEGEW-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.29
Rot. Bonds3

About 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid

7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid (PubChem CID 20586983) has the molecular formula C10H8O6S2 and a molecular weight of 288.30 g/mol. Its IUPAC name is 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid
PubChem CID20586983
Molecular FormulaC10H8O6S2
Molecular Weight288.30 g/mol
Exact Mass287.98
IUPAC Name7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2ccc(SOO)cc2c1
InChIInChI=1S/C10H8O6S2/c11-10-5-8(18(13,14)15)4-6-3-7(17-16-12)1-2-9(6)10/h1-5,11-12H,(H,13,14,15)
InChIKeyMJRRVKFWXOEGEW-UHFFFAOYSA-N
XLogP2.29
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic 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 87126465
CID 87126465
sodium 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid
CID 54608541
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319
Chromotropic acid sodium salt
CID 88518702
3-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]benzoic acid
CID 15450962
4-hydroxy-7-[[4-[[4-[(5-hydroxy-7-sulfonaphthalen-2-yl)sulfamoyl]phenyl]carbamoylamino]phenyl]sulfonylamino]naphthalene-2-sulfonic acid
CID 88674250
3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
CID 86057490
7-[(4-fluorophenyl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
CID 155589449
7-(benzoyloxymethylamino)-4-hydroxynaphthalene-2-sulfonic acid
CID 175367614
4-(3,6-disulfonaphthalen-1-yl)oxynaphthalene-2,6-disulfonic acid
CID 167215059
7-amino-4-hydroxynaphthalene-2-sulfonic acid;2-methoxy-4-methylbenzenesulfonic acid
CID 88689633
2-[6-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-sulfonaphthalen-1-yl]oxyacetic acid
CID 22041811

Frequently Asked Questions

What is the IUPAC name of 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid (CID 20586983) is 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid is O=S(=O)(O)c1cc(O)c2ccc(SOO)cc2c1.
What is the InChIKey of 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is MJRRVKFWXOEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2/c11-10-5-8(18(13,14)15)4-6-3-7(17-16-12)1-2-9(6)10/h1-5,11-12H,(H,13,14,15).
What are the key properties of 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid?
7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 288.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroperoxysulfanyl-4-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 20586983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).