potassium 5-tetradecylnaphthalene-2-sulfonate

C24H35KO3S — CID 101317264

IUPACpotassium 5-tetradecylnaphthalene-2-sulfonate
SMILESCCCCCCCCCCCCCCc1cccc2cc(S(=O)(=O)[O-])ccc12.[K+]
InChIInChI=1S/C24H36O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-16-14-17-22-20-23(28(25,26)27)18-19-24(21)22;/h14,16-20H,2-13,15H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyBXIMBLYOOGGNJM-UHFFFAOYSA-M
MW442.71 g/mol
LogP3.99
Rot. Bonds14

About potassium 5-tetradecylnaphthalene-2-sulfonate

potassium 5-tetradecylnaphthalene-2-sulfonate (PubChem CID 101317264) has the molecular formula C24H35KO3S and a molecular weight of 442.71 g/mol. Its IUPAC name is potassium 5-tetradecylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 5-tetradecylnaphthalene-2-sulfonate
PubChem CID101317264
Molecular FormulaC24H35KO3S
Molecular Weight442.71 g/mol
Exact Mass442.19
IUPAC Namepotassium 5-tetradecylnaphthalene-2-sulfonate
SMILESCCCCCCCCCCCCCCc1cccc2cc(S(=O)(=O)[O-])ccc12.[K+]
InChIInChI=1S/C24H36O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-16-14-17-22-20-23(28(25,26)27)18-19-24(21)22;/h14,16-20H,2-13,15H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyBXIMBLYOOGGNJM-UHFFFAOYSA-M
XLogP3.99
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-hexylnaphthalene-2-sulfonate
CID 101317155
5-hexylnaphthalene-2-sulfonic acid
CID 101315022
potassium 4-decylnaphthalene-2-sulfonate
CID 101317209
potassium 8-butylnaphthalene-2-sulfonate
CID 101317133
potassium 5,8-dihexylnaphthalene-2-sulfonate
CID 101323985
potassium 5,6-di(tetradecyl)naphthalene-2-sulfonate
CID 101324151
barium(2+);bis(3,8-diheptylnaphthalene-2-sulfonate)
CID 101319444
CID 101310112
CID 101310112
sodium 3,5-didodecylnaphthalene-2-sulfonate
CID 101325148
potassium 6,7-di(undecyl)naphthalene-2-sulfonate
CID 101324091
barium(2+);bis(5,8-didodecylnaphthalene-2-sulfonate)
CID 101319624
barium(2+);bis(4,5-didecylnaphthalene-2-sulfonate)
CID 101319530

Frequently Asked Questions

What is the IUPAC name of potassium 5-tetradecylnaphthalene-2-sulfonate?
The IUPAC name of potassium 5-tetradecylnaphthalene-2-sulfonate (CID 101317264) is potassium 5-tetradecylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 5-tetradecylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 5-tetradecylnaphthalene-2-sulfonate is CCCCCCCCCCCCCCc1cccc2cc(S(=O)(=O)[O-])ccc12.[K+].
What is the InChIKey of potassium 5-tetradecylnaphthalene-2-sulfonate?
The InChIKey is BXIMBLYOOGGNJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-16-14-17-22-20-23(28(25,26)27)18-19-24(21)22;/h14,16-20H,2-13,15H2,1H3,(H,25,26,27);/q;+1/p-1.
What are the key properties of potassium 5-tetradecylnaphthalene-2-sulfonate?
potassium 5-tetradecylnaphthalene-2-sulfonate has a molecular weight of 442.71 g/mol, XLogP of 3.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-tetradecylnaphthalene-2-sulfonate is sourced from PubChem (CID 101317264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).