(5-aminonaphthalen-1-yl) sulfate

C10H8NO4S- — CID 170844816

IUPAC(5-aminonaphthalen-1-yl) sulfate
SMILESNc1cccc2c(OS(=O)(=O)[O-])cccc12
InChIInChI=1S/C10H9NO4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15-16(12,13)14/h1-6H,11H2,(H,12,13,14)/p-1
InChIKeyBGIHEDYOBHFBGN-UHFFFAOYSA-M
MW238.24 g/mol
LogP1.26
Rot. Bonds2

About (5-aminonaphthalen-1-yl) sulfate

(5-aminonaphthalen-1-yl) sulfate (PubChem CID 170844816) has the molecular formula C10H8NO4S- and a molecular weight of 238.24 g/mol. Its IUPAC name is (5-aminonaphthalen-1-yl) sulfate.

Molecular Properties

Compound Name(5-aminonaphthalen-1-yl) sulfate
PubChem CID170844816
Molecular FormulaC10H8NO4S-
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name(5-aminonaphthalen-1-yl) sulfate
SMILESNc1cccc2c(OS(=O)(=O)[O-])cccc12
InChIInChI=1S/C10H9NO4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15-16(12,13)14/h1-6H,11H2,(H,12,13,14)/p-1
InChIKeyBGIHEDYOBHFBGN-UHFFFAOYSA-M
XLogP1.26
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-aminonaphthalen-1-yl) sulfate?
The IUPAC name of (5-aminonaphthalen-1-yl) sulfate (CID 170844816) is (5-aminonaphthalen-1-yl) sulfate.
What is the SMILES notation for (5-aminonaphthalen-1-yl) sulfate?
The canonical SMILES for (5-aminonaphthalen-1-yl) sulfate is Nc1cccc2c(OS(=O)(=O)[O-])cccc12.
What is the InChIKey of (5-aminonaphthalen-1-yl) sulfate?
The InChIKey is BGIHEDYOBHFBGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15-16(12,13)14/h1-6H,11H2,(H,12,13,14)/p-1.
What are the key properties of (5-aminonaphthalen-1-yl) sulfate?
(5-aminonaphthalen-1-yl) sulfate has a molecular weight of 238.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminonaphthalen-1-yl) sulfate is sourced from PubChem (CID 170844816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).