potassium 7-tetradecylnaphthalene-2-sulfonate

C24H35KO3S — CID 101317266

IUPACpotassium 7-tetradecylnaphthalene-2-sulfonate
SMILESCCCCCCCCCCCCCCc1ccc2ccc(S(=O)(=O)[O-])cc2c1.[K+]
InChIInChI=1S/C24H36O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-16-22-17-18-24(28(25,26)27)20-23(22)19-21;/h15-20H,2-14H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyKBUHNLKRHIGYPI-UHFFFAOYSA-M
MW442.71 g/mol
LogP3.99
Rot. Bonds14

About potassium 7-tetradecylnaphthalene-2-sulfonate

potassium 7-tetradecylnaphthalene-2-sulfonate (PubChem CID 101317266) has the molecular formula C24H35KO3S and a molecular weight of 442.71 g/mol. Its IUPAC name is potassium 7-tetradecylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 7-tetradecylnaphthalene-2-sulfonate
PubChem CID101317266
Molecular FormulaC24H35KO3S
Molecular Weight442.71 g/mol
Exact Mass442.19
IUPAC Namepotassium 7-tetradecylnaphthalene-2-sulfonate
SMILESCCCCCCCCCCCCCCc1ccc2ccc(S(=O)(=O)[O-])cc2c1.[K+]
InChIInChI=1S/C24H36O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-16-22-17-18-24(28(25,26)27)20-23(22)19-21;/h15-20H,2-14H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyKBUHNLKRHIGYPI-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 6,7-di(undecyl)naphthalene-2-sulfonate
CID 101324091
potassium 4-hentetracontylbenzenesulfonate
CID 101306579
potassium 4-tetratriacontylbenzenesulfonate
CID 101306457
potassium 4-pentacosylbenzenesulfonate
CID 101306299
potassium 4-heptylbenzenesulfonate
CID 23687482
potassium 4,7-diheptylnaphthalene-2-sulfonate
CID 101324002
potassium 3-hexadecylbenzenesulfonate
CID 23666632
potassium 3-hentetracontylbenzenesulfonate
CID 101306573
potassium 6,8-di(tetradecyl)naphthalene-2-sulfonate
CID 101324155
4-nonylbenzenesulfonate
CID 15764481
potassium 4-pentylbenzenesulfonate
CID 23687480
4-icosylbenzenesulfonate
CID 59513322

Frequently Asked Questions

What is the IUPAC name of potassium 7-tetradecylnaphthalene-2-sulfonate?
The IUPAC name of potassium 7-tetradecylnaphthalene-2-sulfonate (CID 101317266) is potassium 7-tetradecylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 7-tetradecylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 7-tetradecylnaphthalene-2-sulfonate is CCCCCCCCCCCCCCc1ccc2ccc(S(=O)(=O)[O-])cc2c1.[K+].
What is the InChIKey of potassium 7-tetradecylnaphthalene-2-sulfonate?
The InChIKey is KBUHNLKRHIGYPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-16-22-17-18-24(28(25,26)27)20-23(22)19-21;/h15-20H,2-14H2,1H3,(H,25,26,27);/q;+1/p-1.
What are the key properties of potassium 7-tetradecylnaphthalene-2-sulfonate?
potassium 7-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 7-tetradecylnaphthalene-2-sulfonate is sourced from PubChem (CID 101317266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).