naphthalen-2-yl (E)-2-phenylethenesulfonate

C18H14O3S — CID 6058603

IUPACnaphthalen-2-yl (E)-2-phenylethenesulfonate
SMILESO=S(=O)(/C=C/c1ccccc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H14O3S/c19-22(20,13-12-15-6-2-1-3-7-15)21-18-11-10-16-8-4-5-9-17(16)14-18/h1-14H/b13-12+
InChIKeyLATGHFGQZUSPBC-OUKQBFOZSA-N
MW310.37 g/mol
LogP4.22
Rot. Bonds4

About naphthalen-2-yl (E)-2-phenylethenesulfonate

naphthalen-2-yl (E)-2-phenylethenesulfonate (PubChem CID 6058603) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is naphthalen-2-yl (E)-2-phenylethenesulfonate.

Molecular Properties

Compound Namenaphthalen-2-yl (E)-2-phenylethenesulfonate
PubChem CID6058603
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Namenaphthalen-2-yl (E)-2-phenylethenesulfonate
SMILESO=S(=O)(/C=C/c1ccccc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H14O3S/c19-22(20,13-12-15-6-2-1-3-7-15)21-18-11-10-16-8-4-5-9-17(16)14-18/h1-14H/b13-12+
InChIKeyLATGHFGQZUSPBC-OUKQBFOZSA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.22
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 naphthalen-2-yl (E)-2-phenylethenesulfonate?
The IUPAC name of naphthalen-2-yl (E)-2-phenylethenesulfonate (CID 6058603) is naphthalen-2-yl (E)-2-phenylethenesulfonate.
What is the SMILES notation for naphthalen-2-yl (E)-2-phenylethenesulfonate?
The canonical SMILES for naphthalen-2-yl (E)-2-phenylethenesulfonate is O=S(=O)(/C=C/c1ccccc1)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl (E)-2-phenylethenesulfonate?
The InChIKey is LATGHFGQZUSPBC-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H14O3S/c19-22(20,13-12-15-6-2-1-3-7-15)21-18-11-10-16-8-4-5-9-17(16)14-18/h1-14H/b13-12+.
What are the key properties of naphthalen-2-yl (E)-2-phenylethenesulfonate?
naphthalen-2-yl (E)-2-phenylethenesulfonate has a molecular weight of 310.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl (E)-2-phenylethenesulfonate is sourced from PubChem (CID 6058603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).