7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid

C10H11NO4S — CID 22062317

IUPAC7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid
SMILESNc1ccc2c(c1)C=C(S(=O)(=O)O)CC2O
InChIInChI=1S/C10H11NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-4,10,12H,5,11H2,(H,13,14,15)
InChIKeyPQJSTCBIDYCZJI-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.93
Rot. Bonds1

About 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid

7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid (PubChem CID 22062317) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid
PubChem CID22062317
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid
SMILESNc1ccc2c(c1)C=C(S(=O)(=O)O)CC2O
InChIInChI=1S/C10H11NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-4,10,12H,5,11H2,(H,13,14,15)
InChIKeyPQJSTCBIDYCZJI-UHFFFAOYSA-N
XLogP0.93
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid?
The IUPAC name of 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid (CID 22062317) is 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid.
What is the SMILES notation for 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid?
The canonical SMILES for 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid is Nc1ccc2c(c1)C=C(S(=O)(=O)O)CC2O.
What is the InChIKey of 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid?
The InChIKey is PQJSTCBIDYCZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-4,10,12H,5,11H2,(H,13,14,15).
What are the key properties of 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid?
7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid has a molecular weight of 241.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-hydroxy-3,4-dihydronaphthalene-2-sulfonic acid is sourced from PubChem (CID 22062317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).