2,5-dinitrosonaphthalene-1-sulfonic acid

C10H6N2O5S — CID 145376555

IUPAC2,5-dinitrosonaphthalene-1-sulfonic acid
SMILESO=Nc1ccc2c(N=O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H6N2O5S/c13-11-8-3-1-2-7-6(8)4-5-9(12-14)10(7)18(15,16)17/h1-5H,(H,15,16,17)
InChIKeyJTZKZVLDUHWLPE-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.88
Rot. Bonds3

About 2,5-dinitrosonaphthalene-1-sulfonic acid

2,5-dinitrosonaphthalene-1-sulfonic acid (PubChem CID 145376555) has the molecular formula C10H6N2O5S and a molecular weight of 266.23 g/mol. Its IUPAC name is 2,5-dinitrosonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2,5-dinitrosonaphthalene-1-sulfonic acid
PubChem CID145376555
Molecular FormulaC10H6N2O5S
Molecular Weight266.23 g/mol
Exact Mass266.00
IUPAC Name2,5-dinitrosonaphthalene-1-sulfonic acid
SMILESO=Nc1ccc2c(N=O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H6N2O5S/c13-11-8-3-1-2-7-6(8)4-5-9(12-14)10(7)18(15,16)17/h1-5H,(H,15,16,17)
InChIKeyJTZKZVLDUHWLPE-UHFFFAOYSA-N
XLogP2.88
TPSA113.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dinitrosonaphthalene-1-sulfonic acid?
The IUPAC name of 2,5-dinitrosonaphthalene-1-sulfonic acid (CID 145376555) is 2,5-dinitrosonaphthalene-1-sulfonic acid.
What is the SMILES notation for 2,5-dinitrosonaphthalene-1-sulfonic acid?
The canonical SMILES for 2,5-dinitrosonaphthalene-1-sulfonic acid is O=Nc1ccc2c(N=O)cccc2c1S(=O)(=O)O.
What is the InChIKey of 2,5-dinitrosonaphthalene-1-sulfonic acid?
The InChIKey is JTZKZVLDUHWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O5S/c13-11-8-3-1-2-7-6(8)4-5-9(12-14)10(7)18(15,16)17/h1-5H,(H,15,16,17).
What are the key properties of 2,5-dinitrosonaphthalene-1-sulfonic acid?
2,5-dinitrosonaphthalene-1-sulfonic acid has a molecular weight of 266.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinitrosonaphthalene-1-sulfonic acid is sourced from PubChem (CID 145376555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).