2-ethenylnaphthalene-1-sulfonic acid

C12H10O3S — CID 22239218

IUPAC2-ethenylnaphthalene-1-sulfonic acid
SMILESC=Cc1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C12H10O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)16(13,14)15/h2-8H,1H2,(H,13,14,15)
InChIKeyONUXAGYOFJLIQM-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.73
Rot. Bonds2

About 2-ethenylnaphthalene-1-sulfonic acid

2-ethenylnaphthalene-1-sulfonic acid (PubChem CID 22239218) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-ethenylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-ethenylnaphthalene-1-sulfonic acid
PubChem CID22239218
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-ethenylnaphthalene-1-sulfonic acid
SMILESC=Cc1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C12H10O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)16(13,14)15/h2-8H,1H2,(H,13,14,15)
InChIKeyONUXAGYOFJLIQM-UHFFFAOYSA-N
XLogP2.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.73
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

sodium 2-ethenylnaphthalene-1-sulfonate
CID 86612695
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205
2-sulfanylnaphthalene-1-sulfonic acid
CID 23287460
CID 87562735
CID 87562735
azane;2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid
CID 138400262
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
1-sulfonaphthalene-2-sulfinate
CID 57156667
CID 126569140
CID 126569140
2-(3-sulfopropoxy)naphthalene-1-sulfonic acid
CID 172802950
2-ethenylbenzenesulfonic acid
CID 161490655
cyclohexa-2,5-diene-1,4-dione;phenanthrene-1,2-disulfonic acid
CID 87630571

Frequently Asked Questions

What is the IUPAC name of 2-ethenylnaphthalene-1-sulfonic acid?
The IUPAC name of 2-ethenylnaphthalene-1-sulfonic acid (CID 22239218) is 2-ethenylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-ethenylnaphthalene-1-sulfonic acid?
The canonical SMILES for 2-ethenylnaphthalene-1-sulfonic acid is C=Cc1ccc2ccccc2c1S(=O)(=O)O.
What is the InChIKey of 2-ethenylnaphthalene-1-sulfonic acid?
The InChIKey is ONUXAGYOFJLIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)16(13,14)15/h2-8H,1H2,(H,13,14,15).
What are the key properties of 2-ethenylnaphthalene-1-sulfonic acid?
2-ethenylnaphthalene-1-sulfonic acid has a molecular weight of 234.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 22239218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).