6-acetamido-4-hydroxynaphthalene-2-sulfinic acid

C12H11NO4S — CID 57237886

IUPAC6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
SMILESCC(=O)Nc1ccc2cc(S(=O)O)cc(O)c2c1
InChIInChI=1S/C12H11NO4S/c1-7(14)13-9-3-2-8-4-10(18(16)17)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17)
InChIKeyZADUNTKSMIBMMB-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.08
Rot. Bonds2

About 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid

6-acetamido-4-hydroxynaphthalene-2-sulfinic acid (PubChem CID 57237886) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid.

Molecular Properties

Compound Name6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
PubChem CID57237886
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
SMILESCC(=O)Nc1ccc2cc(S(=O)O)cc(O)c2c1
InChIInChI=1S/C12H11NO4S/c1-7(14)13-9-3-2-8-4-10(18(16)17)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17)
InChIKeyZADUNTKSMIBMMB-UHFFFAOYSA-N
XLogP2.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;4-acetamidobenzenesulfinic acid;hydride
CID 173018720
4-(4-acetamidophenyl)benzenesulfinic acid
CID 154266500
N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
CID 163233006
6-acetamido-4-hydroxynaphthalene-2-sulfonic acid;6-[acetyl(methyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 88729795
3-acetamido-5-methoxybenzenesulfinic acid
CID 101304035
N-(8-hydroxynaphthalen-2-yl)-4-prop-1-en-2-ylbenzamide
CID 90208472
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
5-acetamido-2-methoxybenzenesulfinic acid
CID 23466770
N-(8-methoxy-6-sulfamoylnaphthalen-2-yl)acetamide
CID 91738687
N-(8-nitronaphthalen-2-yl)acetamide
CID 615480
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156859

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid?
The IUPAC name of 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid (CID 57237886) is 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid.
What is the SMILES notation for 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid?
The canonical SMILES for 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid is CC(=O)Nc1ccc2cc(S(=O)O)cc(O)c2c1.
What is the InChIKey of 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid?
The InChIKey is ZADUNTKSMIBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-7(14)13-9-3-2-8-4-10(18(16)17)6-12(15)11(8)5-9/h2-6,15H,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid?
6-acetamido-4-hydroxynaphthalene-2-sulfinic acid has a molecular weight of 265.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-4-hydroxynaphthalene-2-sulfinic acid is sourced from PubChem (CID 57237886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).