sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride

C16H14NNaO4S — CID 173415601

IUPACsodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc(O)c2c(Nc3ccccc3)cccc12.[H-].[Na+]
InChIInChI=1S/C16H13NO4S.Na.H/c18-14-9-10-15(22(19,20)21)12-7-4-8-13(16(12)14)17-11-5-2-1-3-6-11;;/h1-10,17-18H,(H,19,20,21);;/q;+1;-1
InChIKeyWZRTYZIDEFGUFY-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.65
Rot. Bonds3

About sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride

sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride (PubChem CID 173415601) has the molecular formula C16H14NNaO4S and a molecular weight of 339.35 g/mol. Its IUPAC name is sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride
PubChem CID173415601
Molecular FormulaC16H14NNaO4S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Namesodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc(O)c2c(Nc3ccccc3)cccc12.[H-].[Na+]
InChIInChI=1S/C16H13NO4S.Na.H/c18-14-9-10-15(22(19,20)21)12-7-4-8-13(16(12)14)17-11-5-2-1-3-6-11;;/h1-10,17-18H,(H,19,20,21);;/q;+1;-1
InChIKeyWZRTYZIDEFGUFY-UHFFFAOYSA-N
XLogP0.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-anilinonaphthalene-1-sulfonic acid
CID 23333412
magnesium 8-anilinonaphthalene-1-sulfonic acid
CID 23615490
4-hydroxy-5-[[4-[[2-[4-[(8-hydroxy-5-sulfonaphthalen-1-yl)carbamoyl]anilino]-2-oxoacetyl]amino]benzoyl]amino]naphthalene-1-sulfonic acid
CID 23312722
disodium;hydride;perylene-3,10-disulfonic acid
CID 173363289
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
1-anilinonaphthalene-2-sulfonic acid
CID 14694055
4-hydroxy-5-[[4-[[2-[4-[(8-hydroxy-5-sulfonaphthalen-1-yl)carbamoyl]-2-methylanilino]-2-oxoacetyl]amino]-3-methylbenzoyl]amino]naphthalene-1-sulfonic acid
CID 88689451
4-hydroxynaphthalene-1-sulfonic acid;phenylmethanamine
CID 173118162
4,5-diamino-2-anilinobenzenesulfonic acid
CID 151889508
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
4-hydroxy-8-(4-sulfoanilino)naphthalene-2-sulfonic acid
CID 139603980

Frequently Asked Questions

What is the IUPAC name of sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
The IUPAC name of sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride (CID 173415601) is sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
The canonical SMILES for sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride is O=S(=O)(O)c1ccc(O)c2c(Nc3ccccc3)cccc12.[H-].[Na+].
What is the InChIKey of sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
The InChIKey is WZRTYZIDEFGUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S.Na.H/c18-14-9-10-15(22(19,20)21)12-7-4-8-13(16(12)14)17-11-5-2-1-3-6-11;;/h1-10,17-18H,(H,19,20,21);;/q;+1;-1.
What are the key properties of sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride?
sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride has a molecular weight of 339.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride is sourced from PubChem (CID 173415601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).