5,7-diethylnaphthalene-2-sulfonic acid

C14H16O3S — CID 101323845

IUPAC5,7-diethylnaphthalene-2-sulfonic acid
SMILESCCc1cc(CC)c2ccc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C14H16O3S/c1-3-10-7-11(4-2)14-6-5-13(18(15,16)17)9-12(14)8-10/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyZMFYDBCWSVACAW-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.21
Rot. Bonds3

About 5,7-diethylnaphthalene-2-sulfonic acid

5,7-diethylnaphthalene-2-sulfonic acid (PubChem CID 101323845) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5,7-diethylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5,7-diethylnaphthalene-2-sulfonic acid
PubChem CID101323845
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name5,7-diethylnaphthalene-2-sulfonic acid
SMILESCCc1cc(CC)c2ccc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C14H16O3S/c1-3-10-7-11(4-2)14-6-5-13(18(15,16)17)9-12(14)8-10/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyZMFYDBCWSVACAW-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

4,7-dipentylnaphthalene-2-sulfonic acid
CID 101323953
1,3,7-triethylnaphthalene
CID 71445350
CID 87126465
CID 87126465
6,8-dipentylnaphthalene-2-sulfonic acid
CID 101323965
2-ethylbenzene-1,4-disulfonic acid
CID 57045221
5-hexylnaphthalene-2-sulfonic acid
CID 101315022
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
4-[(6-ethyl-2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
CID 136794691
6-tridecylnaphthalene-2-sulfonic acid
CID 101315100
sodium 5,7-dipentylnaphthalene-2-sulfonate
CID 101325010
5-bis(2-ethoxy-6-sulfonaphthalen-1-yl)phosphanyl-6-ethoxynaphthalene-2-sulfonic acid
CID 102442046
sodium 4,6-diethylnaphthalene-2-sulfonate
CID 101324946

Frequently Asked Questions

What is the IUPAC name of 5,7-diethylnaphthalene-2-sulfonic acid?
The IUPAC name of 5,7-diethylnaphthalene-2-sulfonic acid (CID 101323845) is 5,7-diethylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 5,7-diethylnaphthalene-2-sulfonic acid?
The canonical SMILES for 5,7-diethylnaphthalene-2-sulfonic acid is CCc1cc(CC)c2ccc(S(=O)(=O)O)cc2c1.
What is the InChIKey of 5,7-diethylnaphthalene-2-sulfonic acid?
The InChIKey is ZMFYDBCWSVACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3S/c1-3-10-7-11(4-2)14-6-5-13(18(15,16)17)9-12(14)8-10/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 5,7-diethylnaphthalene-2-sulfonic acid?
5,7-diethylnaphthalene-2-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 5,7-diethylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 101323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).