disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate

C10H7NNa2O7S2 — CID 23553841

IUPACdisodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
SMILESNc1cc(SOO[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+]
InChIInChI=1S/C10H9NO7S2.2Na/c11-8-3-6(19-18-17-13)1-5-2-7(20(14,15)16)4-9(12)10(5)8;;/h1-4,12-13H,11H2,(H,14,15,16);;/q;2*+1/p-2
InChIKeyCOPIGVXLFHHJLE-UHFFFAOYSA-L
MW363.28 g/mol
LogP-5.73
Rot. Bonds4

About disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate

disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate (PubChem CID 23553841) has the molecular formula C10H7NNa2O7S2 and a molecular weight of 363.28 g/mol. Its IUPAC name is disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
PubChem CID23553841
Molecular FormulaC10H7NNa2O7S2
Molecular Weight363.28 g/mol
Exact Mass362.95
IUPAC Namedisodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
SMILESNc1cc(SOO[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+]
InChIInChI=1S/C10H9NO7S2.2Na/c11-8-3-6(19-18-17-13)1-5-2-7(20(14,15)16)4-9(12)10(5)8;;/h1-4,12-13H,11H2,(H,14,15,16);;/q;2*+1/p-2
InChIKeyCOPIGVXLFHHJLE-UHFFFAOYSA-L
XLogP-5.73
TPSA144.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 5-5.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

disodium;6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-oxidoperoxysulfanylnaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
CID 135995385
disodium;5-[(3,4-dichlorobenzoyl)amino]-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 20578286
disodium;4-(ethanethioylamino)-5-methyl-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 20727822
5-methyl-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 169293338
disodium;7-oxidoperoxysulfanyl-4-propan-2-ylnaphthalene-2-sulfonate
CID 23547346
disodium;5-(methylcarbamothioylamino)-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 59940225
disodium;4-amino-5-oxido-7-sulfonaphthalene-2-sulfonate
CID 102059922
hexasodium;5-[[3-[[8-acetyloxy-3,6-bis(oxidoperoxysulfanyl)naphthalen-1-yl]carbamoyl]-5-[(8-acetyloxy-6-oxidoperoxysulfanyl-3-sulfonatonaphthalen-1-yl)carbamoyl]benzoyl]amino]-4-methyl-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
CID 59106327
7-amino-4-hydroxynaphthalene-2-sulfonate
CID 22096616
disodium;4-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonate
CID 159943215
sodium 6-amino-5-[(4-amino-2-chlorophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate
CID 135764832
5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
CID 143211913

Frequently Asked Questions

What is the IUPAC name of disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
The IUPAC name of disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate (CID 23553841) is disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate.
What is the SMILES notation for disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
The canonical SMILES for disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate is Nc1cc(SOO[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+].
What is the InChIKey of disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
The InChIKey is COPIGVXLFHHJLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9NO7S2.2Na/c11-8-3-6(19-18-17-13)1-5-2-7(20(14,15)16)4-9(12)10(5)8;;/h1-4,12-13H,11H2,(H,14,15,16);;/q;2*+1/p-2.
What are the key properties of disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate has a molecular weight of 363.28 g/mol, XLogP of -5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-amino-4-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate is sourced from PubChem (CID 23553841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).