methoxy naphthalene-2-sulfonate

C11H10O4S — CID 154112569

IUPACmethoxy naphthalene-2-sulfonate
SMILESCOOS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H10O4S/c1-14-15-16(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyRGELXQDGABVNFQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.11
Rot. Bonds3

About methoxy naphthalene-2-sulfonate

methoxy naphthalene-2-sulfonate (PubChem CID 154112569) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is methoxy naphthalene-2-sulfonate.

Molecular Properties

Compound Namemethoxy naphthalene-2-sulfonate
PubChem CID154112569
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Namemethoxy naphthalene-2-sulfonate
SMILESCOOS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H10O4S/c1-14-15-16(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyRGELXQDGABVNFQ-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze methoxy naphthalene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxy naphthalene-2-sulfonate?
The IUPAC name of methoxy naphthalene-2-sulfonate (CID 154112569) is methoxy naphthalene-2-sulfonate.
What is the SMILES notation for methoxy naphthalene-2-sulfonate?
The canonical SMILES for methoxy naphthalene-2-sulfonate is COOS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methoxy naphthalene-2-sulfonate?
The InChIKey is RGELXQDGABVNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-14-15-16(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3.
What are the key properties of methoxy naphthalene-2-sulfonate?
methoxy naphthalene-2-sulfonate has a molecular weight of 238.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy naphthalene-2-sulfonate is sourced from PubChem (CID 154112569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).