8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid

C10H7NO5S — CID 23422680

IUPAC8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid
SMILESO=Nc1ccc2cccc(S(=O)(=O)O)c2c1O
InChIInChI=1S/C10H7NO5S/c12-10-7(11-13)5-4-6-2-1-3-8(9(6)10)17(14,15)16/h1-5,12H,(H,14,15,16)
InChIKeyHUUQICHRSRRURR-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.19
Rot. Bonds2

About 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid

8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid (PubChem CID 23422680) has the molecular formula C10H7NO5S and a molecular weight of 253.23 g/mol. Its IUPAC name is 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid
PubChem CID23422680
Molecular FormulaC10H7NO5S
Molecular Weight253.23 g/mol
Exact Mass253.00
IUPAC Name8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid
SMILESO=Nc1ccc2cccc(S(=O)(=O)O)c2c1O
InChIInChI=1S/C10H7NO5S/c12-10-7(11-13)5-4-6-2-1-3-8(9(6)10)17(14,15)16/h1-5,12H,(H,14,15,16)
InChIKeyHUUQICHRSRRURR-UHFFFAOYSA-N
XLogP2.19
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7,8-diaminonaphthalene-1-sulfonic acid
CID 82254374
2-aminonaphthalene-1,8-disulfonic acid
CID 101310221
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate
CID 135848721
2,5-dinitrosobenzenesulfonic acid
CID 129302299
8-hydroxy-7-[[4-[[2-[4-[(1-hydroxy-8-sulfonaphthalen-2-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-1-sulfonic acid
CID 23312807
magnesium 8-anilinonaphthalene-1-sulfonic acid
CID 23615490
8-[(4-chlorophenyl)methylideneamino]naphthalene-1-sulfonic acid
CID 71430392
naphthalene-1,3,8-trisulfonic acid
CID 18676649
ethene;pyrene-1-sulfonic acid
CID 157123261
7-amino-8-ethylsulfonylnaphthalene-1-sulfonic acid
CID 88611187
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid?
The IUPAC name of 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid (CID 23422680) is 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid.
What is the SMILES notation for 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid?
The canonical SMILES for 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid is O=Nc1ccc2cccc(S(=O)(=O)O)c2c1O.
What is the InChIKey of 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid?
The InChIKey is HUUQICHRSRRURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5S/c12-10-7(11-13)5-4-6-2-1-3-8(9(6)10)17(14,15)16/h1-5,12H,(H,14,15,16).
What are the key properties of 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid?
8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid has a molecular weight of 253.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid is sourced from PubChem (CID 23422680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).