sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride

C10H10NNaO4S — CID 173284943

IUPACsodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
SMILESNc1cc(S(=O)(=O)O)c2ccccc2c1O.[H-].[Na+]
InChIInChI=1S/C10H9NO4S.Na.H/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;;/h1-5,12H,11H2,(H,13,14,15);;/q;+1;-1
InChIKeyPOIHIXJHPFYANE-UHFFFAOYSA-N
MW263.25 g/mol
LogP-1.51
Rot. Bonds1

About sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride

sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride (PubChem CID 173284943) has the molecular formula C10H10NNaO4S and a molecular weight of 263.25 g/mol. Its IUPAC name is sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
PubChem CID173284943
Molecular FormulaC10H10NNaO4S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Namesodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
SMILESNc1cc(S(=O)(=O)O)c2ccccc2c1O.[H-].[Na+]
InChIInChI=1S/C10H9NO4S.Na.H/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;;/h1-5,12H,11H2,(H,13,14,15);;/q;+1;-1
InChIKeyPOIHIXJHPFYANE-UHFFFAOYSA-N
XLogP-1.51
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713
4-aminonaphthalene-1-sulfonic acid
CID 6790
3-cyano-4-hydroxynaphthalene-1-sulfonic acid
CID 154164129
3-acetyl-4-hydroxynaphthalene-1-sulfonic acid
CID 121013601
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
sodium;7-amino-5-sulfonaphthalene-1-sulfonate;hydride;hydron
CID 173209773
4-hydroxy-3-nitronaphthalene-1-sulfonic acid
CID 3018258
4-bromo-1-hydroxynaphthalene-2-sulfonic acid
CID 88757992
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
3-amino-4-hydroxynaphthalene-1-carboxylic acid
CID 45089646
4-amino-3-[[4-[2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethynyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 2750502
4-amino-3-hydroxynaphthalene-1-sulfonic acid;naphthalen-2-ol
CID 88730201

Frequently Asked Questions

What is the IUPAC name of sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
The IUPAC name of sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride (CID 173284943) is sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
The canonical SMILES for sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride is Nc1cc(S(=O)(=O)O)c2ccccc2c1O.[H-].[Na+].
What is the InChIKey of sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
The InChIKey is POIHIXJHPFYANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S.Na.H/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;;/h1-5,12H,11H2,(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride has a molecular weight of 263.25 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride is sourced from PubChem (CID 173284943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).