naphthalen-2-yl sulfate

C10H7O4S- — CID 4519226

IUPACnaphthalen-2-yl sulfate
SMILESO=S(=O)([O-])Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O4S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1
InChIKeyHXEZIDSFDHEIIQ-UHFFFAOYSA-M
MW223.23 g/mol
LogP1.68
Rot. Bonds2

About naphthalen-2-yl sulfate

naphthalen-2-yl sulfate (PubChem CID 4519226) has the molecular formula C10H7O4S- and a molecular weight of 223.23 g/mol. Its IUPAC name is naphthalen-2-yl sulfate.

Molecular Properties

Compound Namenaphthalen-2-yl sulfate
PubChem CID4519226
Molecular FormulaC10H7O4S-
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Namenaphthalen-2-yl sulfate
SMILESO=S(=O)([O-])Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O4S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1
InChIKeyHXEZIDSFDHEIIQ-UHFFFAOYSA-M
XLogP1.68
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 naphthalen-2-yl sulfate?
The IUPAC name of naphthalen-2-yl sulfate (CID 4519226) is naphthalen-2-yl sulfate.
What is the SMILES notation for naphthalen-2-yl sulfate?
The canonical SMILES for naphthalen-2-yl sulfate is O=S(=O)([O-])Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl sulfate?
The InChIKey is HXEZIDSFDHEIIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1.
What are the key properties of naphthalen-2-yl sulfate?
naphthalen-2-yl sulfate has a molecular weight of 223.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl sulfate is sourced from PubChem (CID 4519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).