sodium 7-tetradecylnaphthalene-1-sulfonate

C24H35NaO3S — CID 101317075

IUPACsodium 7-tetradecylnaphthalene-1-sulfonate
SMILESCCCCCCCCCCCCCCc1ccc2cccc(S(=O)(=O)[O-])c2c1.[Na+]
InChIInChI=1S/C24H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-18-19-22-16-14-17-24(23(22)20-21)28(25,26)27;/h14,16-20H,2-13,15H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyBNBGPVMWCRJBKO-UHFFFAOYSA-M
MW426.60 g/mol
LogP3.99
Rot. Bonds14

About sodium 7-tetradecylnaphthalene-1-sulfonate

sodium 7-tetradecylnaphthalene-1-sulfonate (PubChem CID 101317075) has the molecular formula C24H35NaO3S and a molecular weight of 426.60 g/mol. Its IUPAC name is sodium 7-tetradecylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 7-tetradecylnaphthalene-1-sulfonate
PubChem CID101317075
Molecular FormulaC24H35NaO3S
Molecular Weight426.60 g/mol
Exact Mass426.22
IUPAC Namesodium 7-tetradecylnaphthalene-1-sulfonate
SMILESCCCCCCCCCCCCCCc1ccc2cccc(S(=O)(=O)[O-])c2c1.[Na+]
InChIInChI=1S/C24H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-18-19-22-16-14-17-24(23(22)20-21)28(25,26)27;/h14,16-20H,2-13,15H2,1H3,(H,25,26,27);/q;+1/p-1
InChIKeyBNBGPVMWCRJBKO-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 ≤ 500426.60
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

sodium 3,7-di(tridecyl)naphthalene-1-sulfonate
CID 101324398
sodium 1,7-di(tridecyl)naphthalene-2-sulfonate
CID 101325166
calcium bis(3,7-dihexylnaphthalene-1-sulfonate)
CID 101324543
barium(2+);bis(3,7-di(heptadecyl)naphthalene-1-sulfonate)
CID 101319317
sodium 1,7-di(tetradecyl)naphthalene-2-sulfonate
CID 101325187
barium(2+);bis(3,7-didodecylnaphthalene-1-sulfonate)
CID 101319113
sodium 1,7-dioctylnaphthalene-2-sulfonate
CID 101325061
calcium bis(3,7-diheptylnaphthalene-1-sulfonate)
CID 101324564
potassium 3,7-di(undecyl)naphthalene-1-sulfonate
CID 101322659
zinc bis(6,7-di(nonyl)naphthalene-1-sulfonate)
CID 101310010
barium(2+);bis(1,7-dioctylnaphthalene-2-sulfonate)
CID 101319474
potassium 6,7-dioctylnaphthalene-1-sulfonate
CID 101322605

Frequently Asked Questions

What is the IUPAC name of sodium 7-tetradecylnaphthalene-1-sulfonate?
The IUPAC name of sodium 7-tetradecylnaphthalene-1-sulfonate (CID 101317075) is sodium 7-tetradecylnaphthalene-1-sulfonate.
What is the SMILES notation for sodium 7-tetradecylnaphthalene-1-sulfonate?
The canonical SMILES for sodium 7-tetradecylnaphthalene-1-sulfonate is CCCCCCCCCCCCCCc1ccc2cccc(S(=O)(=O)[O-])c2c1.[Na+].
What is the InChIKey of sodium 7-tetradecylnaphthalene-1-sulfonate?
The InChIKey is BNBGPVMWCRJBKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-18-19-22-16-14-17-24(23(22)20-21)28(25,26)27;/h14,16-20H,2-13,15H2,1H3,(H,25,26,27);/q;+1/p-1.
What are the key properties of sodium 7-tetradecylnaphthalene-1-sulfonate?
sodium 7-tetradecylnaphthalene-1-sulfonate has a molecular weight of 426.60 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 sodium 7-tetradecylnaphthalene-1-sulfonate is sourced from PubChem (CID 101317075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).