potassium 1-methylnaphthalene-2-sulfonate

C11H9KO3S — CID 101317089

IUPACpotassium 1-methylnaphthalene-2-sulfonate
SMILESCc1c(S(=O)(=O)[O-])ccc2ccccc12.[K+]
InChIInChI=1S/C11H10O3S.K/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyCTDMGZDEGDYOLB-UHFFFAOYSA-M
MW260.35 g/mol
LogP-0.94
Rot. Bonds1

About potassium 1-methylnaphthalene-2-sulfonate

potassium 1-methylnaphthalene-2-sulfonate (PubChem CID 101317089) has the molecular formula C11H9KO3S and a molecular weight of 260.35 g/mol. Its IUPAC name is potassium 1-methylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 1-methylnaphthalene-2-sulfonate
PubChem CID101317089
Molecular FormulaC11H9KO3S
Molecular Weight260.35 g/mol
Exact Mass259.99
IUPAC Namepotassium 1-methylnaphthalene-2-sulfonate
SMILESCc1c(S(=O)(=O)[O-])ccc2ccccc12.[K+]
InChIInChI=1S/C11H10O3S.K/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyCTDMGZDEGDYOLB-UHFFFAOYSA-M
XLogP-0.94
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 5-0.94
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

1-methylnaphthalene-2-sulfonamide
CID 57353049
potassium 1-butylnaphthalene-2-sulfonate
CID 101317127
tris(naphthalene-1,2-disulfonate);bis(neodymium(3+))
CID 141227115
1-methylnaphthalene-2-sulfonic acid;2-methylpropane
CID 143894377
potassium 1-(2-methylprop-2-enyl)naphthalene-2-sulfonate
CID 140773298
sodium 1-pentylnaphthalene-2-sulfonate
CID 101315157
calcium bis(1-nonylnaphthalene-2-sulfonate)
CID 101317382
potassium 1,3-dimethylnaphthalene-2-sulfonate
CID 23717173
3-methylnaphthalene-1-sulfonate
CID 59366561
potassium 3,4-dibutylnaphthalene-2-sulfonate
CID 101323901
2-methylsulfonylnaphthalen-1-ol
CID 22125714
sodium 7-methylnaphthalene-1-sulfonate
CID 101315116

Frequently Asked Questions

What is the IUPAC name of potassium 1-methylnaphthalene-2-sulfonate?
The IUPAC name of potassium 1-methylnaphthalene-2-sulfonate (CID 101317089) is potassium 1-methylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 1-methylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 1-methylnaphthalene-2-sulfonate is Cc1c(S(=O)(=O)[O-])ccc2ccccc12.[K+].
What is the InChIKey of potassium 1-methylnaphthalene-2-sulfonate?
The InChIKey is CTDMGZDEGDYOLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O3S.K/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of potassium 1-methylnaphthalene-2-sulfonate?
potassium 1-methylnaphthalene-2-sulfonate has a molecular weight of 260.35 g/mol, XLogP of -0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methylnaphthalene-2-sulfonate is sourced from PubChem (CID 101317089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).