2,7-diethylnaphthalene-1-sulfonic acid

C14H16O3S — CID 101322406

IUPAC2,7-diethylnaphthalene-1-sulfonic acid
SMILESCCc1ccc2ccc(CC)c(S(=O)(=O)O)c2c1
InChIInChI=1S/C14H16O3S/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)
InChIKeyTZTNKYDENSXXEV-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.21
Rot. Bonds3

About 2,7-diethylnaphthalene-1-sulfonic acid

2,7-diethylnaphthalene-1-sulfonic acid (PubChem CID 101322406) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,7-diethylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2,7-diethylnaphthalene-1-sulfonic acid
PubChem CID101322406
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name2,7-diethylnaphthalene-1-sulfonic acid
SMILESCCc1ccc2ccc(CC)c(S(=O)(=O)O)c2c1
InChIInChI=1S/C14H16O3S/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)
InChIKeyTZTNKYDENSXXEV-UHFFFAOYSA-N
XLogP3.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium 2,7-diethylnaphthalene-1-sulfonate
CID 101322405
2,7-di(heptadecyl)naphthalene-1-sulfonic acid
CID 101319308
1,3,7-triethylnaphthalene
CID 71445350
sodium;2,6-didodecylnaphthalene-1-sulfonic acid;hydride
CID 173287771
sodium 4,6-diethylnaphthalene-2-sulfonate
CID 101324946
4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
2,4-diethyl-6-methylbenzenesulfonic acid
CID 91576968
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
CID 89338488
2-amino-5-ethylbenzenesulfonic acid
CID 14819008
azane;2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid
CID 138400262
5,7-diethylnaphthalene-2-sulfonic acid
CID 101323845
potassium 7-ethylnaphthalene-1-sulfonate
CID 101317098

Frequently Asked Questions

What is the IUPAC name of 2,7-diethylnaphthalene-1-sulfonic acid?
The IUPAC name of 2,7-diethylnaphthalene-1-sulfonic acid (CID 101322406) is 2,7-diethylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 2,7-diethylnaphthalene-1-sulfonic acid?
The canonical SMILES for 2,7-diethylnaphthalene-1-sulfonic acid is CCc1ccc2ccc(CC)c(S(=O)(=O)O)c2c1.
What is the InChIKey of 2,7-diethylnaphthalene-1-sulfonic acid?
The InChIKey is TZTNKYDENSXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3S/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).
What are the key properties of 2,7-diethylnaphthalene-1-sulfonic acid?
2,7-diethylnaphthalene-1-sulfonic acid has a molecular weight of 264.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 101322406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).