sodium 2-ethenylnaphthalene-1-sulfonate

C12H9NaO3S — CID 86612695

IUPACsodium 2-ethenylnaphthalene-1-sulfonate
SMILESC=Cc1ccc2ccccc2c1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H10O3S.Na/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);/q;+1/p-1
InChIKeyCPIQXDNVWRJVHG-UHFFFAOYSA-M
MW256.26 g/mol
LogP-0.61
Rot. Bonds2

About sodium 2-ethenylnaphthalene-1-sulfonate

sodium 2-ethenylnaphthalene-1-sulfonate (PubChem CID 86612695) has the molecular formula C12H9NaO3S and a molecular weight of 256.26 g/mol. Its IUPAC name is sodium 2-ethenylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 2-ethenylnaphthalene-1-sulfonate
PubChem CID86612695
Molecular FormulaC12H9NaO3S
Molecular Weight256.26 g/mol
Exact Mass256.02
IUPAC Namesodium 2-ethenylnaphthalene-1-sulfonate
SMILESC=Cc1ccc2ccccc2c1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H10O3S.Na/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);/q;+1/p-1
InChIKeyCPIQXDNVWRJVHG-UHFFFAOYSA-M
XLogP-0.61
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylnaphthalene-1-sulfonic acid
CID 22239218
tris(naphthalene-1,2-disulfonate);bis(neodymium(3+))
CID 141227115
2-bromonaphthalene-1-sulfonate
CID 4608658
potassium 2-aminonaphthalene-1-sulfonate
CID 23709766
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
(2-ethenylnaphthalen-1-yl) sulfite
CID 57249256
sodium 2-docosylnaphthalene-1-sulfonate
CID 23675364
copper bis(2-butylnaphthalene-1-sulfonate)
CID 22368607
disodium;3-methyl-2-[(3-methyl-1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate
CID 175893020
2,3-bis(ethenyl)phenanthrene
CID 144756778
cesium 2-ethenylbenzenesulfonate
CID 87464479
disodium;2-aminonaphthalene-1,3-disulfonate
CID 101310222

Frequently Asked Questions

What is the IUPAC name of sodium 2-ethenylnaphthalene-1-sulfonate?
The IUPAC name of sodium 2-ethenylnaphthalene-1-sulfonate (CID 86612695) is sodium 2-ethenylnaphthalene-1-sulfonate.
What is the SMILES notation for sodium 2-ethenylnaphthalene-1-sulfonate?
The canonical SMILES for sodium 2-ethenylnaphthalene-1-sulfonate is C=Cc1ccc2ccccc2c1S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-ethenylnaphthalene-1-sulfonate?
The InChIKey is CPIQXDNVWRJVHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3S.Na/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);/q;+1/p-1.
What are the key properties of sodium 2-ethenylnaphthalene-1-sulfonate?
sodium 2-ethenylnaphthalene-1-sulfonate has a molecular weight of 256.26 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethenylnaphthalene-1-sulfonate is sourced from PubChem (CID 86612695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).