1,4-dihydroxynaphthalene-2-sulfonamide

C10H9NO4S — CID 91023096

IUPAC1,4-dihydroxynaphthalene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C10H9NO4S/c11-16(14,15)9-5-8(12)6-3-1-2-4-7(6)10(9)13/h1-5,12-13H,(H2,11,14,15)
InChIKeyXELUTTIQUFHSDE-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.90
Rot. Bonds1

About 1,4-dihydroxynaphthalene-2-sulfonamide

1,4-dihydroxynaphthalene-2-sulfonamide (PubChem CID 91023096) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 1,4-dihydroxynaphthalene-2-sulfonamide.

Molecular Properties

Compound Name1,4-dihydroxynaphthalene-2-sulfonamide
PubChem CID91023096
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name1,4-dihydroxynaphthalene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C10H9NO4S/c11-16(14,15)9-5-8(12)6-3-1-2-4-7(6)10(9)13/h1-5,12-13H,(H2,11,14,15)
InChIKeyXELUTTIQUFHSDE-UHFFFAOYSA-N
XLogP0.90
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxynaphthalene-2-sulfonamide?
The IUPAC name of 1,4-dihydroxynaphthalene-2-sulfonamide (CID 91023096) is 1,4-dihydroxynaphthalene-2-sulfonamide.
What is the SMILES notation for 1,4-dihydroxynaphthalene-2-sulfonamide?
The canonical SMILES for 1,4-dihydroxynaphthalene-2-sulfonamide is NS(=O)(=O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 1,4-dihydroxynaphthalene-2-sulfonamide?
The InChIKey is XELUTTIQUFHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c11-16(14,15)9-5-8(12)6-3-1-2-4-7(6)10(9)13/h1-5,12-13H,(H2,11,14,15).
What are the key properties of 1,4-dihydroxynaphthalene-2-sulfonamide?
1,4-dihydroxynaphthalene-2-sulfonamide has a molecular weight of 239.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxynaphthalene-2-sulfonamide is sourced from PubChem (CID 91023096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).