methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate

C15H14O3S — CID 150256268

IUPACmethyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
SMILESC=Cc1cc2ccccc2c(S(=O)(=O)OC)c1C=C
InChIInChI=1S/C15H14O3S/c1-4-11-10-12-8-6-7-9-14(12)15(13(11)5-2)19(16,17)18-3/h4-10H,1-2H2,3H3
InChIKeyGAPVUJYDTAKJRZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.46
Rot. Bonds4

About methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate

methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate (PubChem CID 150256268) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate.

Molecular Properties

Compound Namemethyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
PubChem CID150256268
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Namemethyl 2,3-bis(ethenyl)naphthalene-1-sulfonate
SMILESC=Cc1cc2ccccc2c(S(=O)(=O)OC)c1C=C
InChIInChI=1S/C15H14O3S/c1-4-11-10-12-8-6-7-9-14(12)15(13(11)5-2)19(16,17)18-3/h4-10H,1-2H2,3H3
InChIKeyGAPVUJYDTAKJRZ-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate?
The IUPAC name of methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate (CID 150256268) is methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate.
What is the SMILES notation for methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate?
The canonical SMILES for methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate is C=Cc1cc2ccccc2c(S(=O)(=O)OC)c1C=C.
What is the InChIKey of methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate?
The InChIKey is GAPVUJYDTAKJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-4-11-10-12-8-6-7-9-14(12)15(13(11)5-2)19(16,17)18-3/h4-10H,1-2H2,3H3.
What are the key properties of methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate?
methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate has a molecular weight of 274.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-bis(ethenyl)naphthalene-1-sulfonate is sourced from PubChem (CID 150256268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).