potassium 2,7-diethylnaphthalene-1-sulfonate

C14H15KO3S — CID 101322405

IUPACpotassium 2,7-diethylnaphthalene-1-sulfonate
SMILESCCc1ccc2ccc(CC)c(S(=O)(=O)[O-])c2c1.[K+]
InChIInChI=1S/C14H16O3S.K/c1-3-10-5-6-12-8-7-11(4-2)14(13(12)9-10)18(15,16)17;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKeyGWPGFBNNKBTYPF-UHFFFAOYSA-M
MW302.44 g/mol
LogP-0.13
Rot. Bonds3

About potassium 2,7-diethylnaphthalene-1-sulfonate

potassium 2,7-diethylnaphthalene-1-sulfonate (PubChem CID 101322405) has the molecular formula C14H15KO3S and a molecular weight of 302.44 g/mol. Its IUPAC name is potassium 2,7-diethylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 2,7-diethylnaphthalene-1-sulfonate
PubChem CID101322405
Molecular FormulaC14H15KO3S
Molecular Weight302.44 g/mol
Exact Mass302.04
IUPAC Namepotassium 2,7-diethylnaphthalene-1-sulfonate
SMILESCCc1ccc2ccc(CC)c(S(=O)(=O)[O-])c2c1.[K+]
InChIInChI=1S/C14H16O3S.K/c1-3-10-5-6-12-8-7-11(4-2)14(13(12)9-10)18(15,16)17;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKeyGWPGFBNNKBTYPF-UHFFFAOYSA-M
XLogP-0.13
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium 2,7-diethylnaphthalene-1-sulfonate with MolForge

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

Launch Full Analysis

Related Compounds

2,7-diethylnaphthalene-1-sulfonic acid
CID 101322406
sodium 4,6-diethylnaphthalene-2-sulfonate
CID 101324946
potassium 7-ethylnaphthalene-1-sulfonate
CID 101317098
calcium bis(2,7-didecylnaphthalene-1-sulfonate)
CID 101324616
barium(2+);bis(2,7-dioctadecylnaphthalene-1-sulfonate)
CID 101319348
sodium 2,7-di(tetradecyl)naphthalene-1-sulfonate
CID 101324414
1,3,7-triethylnaphthalene
CID 71445350
sodium 6-ethylnaphthalene-2-sulfonate
CID 101315129
barium(2+);bis(2,6-di(heptadecyl)naphthalene-1-sulfonate)
CID 101319305
sodium 2,6-dihexylnaphthalene-1-sulfonate
CID 101324254
barium(2+);bis(2,6-di(undecyl)naphthalene-1-sulfonate)
CID 101319062
copper bis(2-butylnaphthalene-1-sulfonate)
CID 22368607

Frequently Asked Questions

What is the IUPAC name of potassium 2,7-diethylnaphthalene-1-sulfonate?
The IUPAC name of potassium 2,7-diethylnaphthalene-1-sulfonate (CID 101322405) is potassium 2,7-diethylnaphthalene-1-sulfonate.
What is the SMILES notation for potassium 2,7-diethylnaphthalene-1-sulfonate?
The canonical SMILES for potassium 2,7-diethylnaphthalene-1-sulfonate is CCc1ccc2ccc(CC)c(S(=O)(=O)[O-])c2c1.[K+].
What is the InChIKey of potassium 2,7-diethylnaphthalene-1-sulfonate?
The InChIKey is GWPGFBNNKBTYPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16O3S.K/c1-3-10-5-6-12-8-7-11(4-2)14(13(12)9-10)18(15,16)17;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of potassium 2,7-diethylnaphthalene-1-sulfonate?
potassium 2,7-diethylnaphthalene-1-sulfonate has a molecular weight of 302.44 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,7-diethylnaphthalene-1-sulfonate is sourced from PubChem (CID 101322405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).