sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate

C28H45NaO3S — CID 173354968

IUPACsodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate
SMILESCCCCCCCCCOS(=O)(=O)c1c(CCCCCCCCC)ccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C28H44O3S.Na.H/c1-3-5-7-9-11-13-15-20-26-23-22-25-19-16-17-21-27(25)28(26)32(29,30)31-24-18-14-12-10-8-6-4-2;;/h16-17,19,21-23H,3-15,18,20,24H2,1-2H3;;/q;+1;-1
InChIKeyBRALAXAEWXFROJ-UHFFFAOYSA-N
MW484.72 g/mol
LogP5.71
Rot. Bonds18

About sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate

sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate (PubChem CID 173354968) has the molecular formula C28H45NaO3S and a molecular weight of 484.72 g/mol. Its IUPAC name is sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate
PubChem CID173354968
Molecular FormulaC28H45NaO3S
Molecular Weight484.72 g/mol
Exact Mass484.30
IUPAC Namesodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate
SMILESCCCCCCCCCOS(=O)(=O)c1c(CCCCCCCCC)ccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C28H44O3S.Na.H/c1-3-5-7-9-11-13-15-20-26-23-22-25-19-16-17-21-27(25)28(26)32(29,30)31-24-18-14-12-10-8-6-4-2;;/h16-17,19,21-23H,3-15,18,20,24H2,1-2H3;;/q;+1;-1
InChIKeyBRALAXAEWXFROJ-UHFFFAOYSA-N
XLogP5.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 55.71
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_1', 'substructure': 'N/A'}

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Related Compounds

tetradecyl 2-tetradecylnaphthalene-1-sulfonate
CID 87073047
dioctyl naphthalene-1,2-disulfonate
CID 154410963
sodium 2-docosylnaphthalene-1-sulfonate
CID 23675364
calcium;2-dodecylnaphthalene-1-sulfonic acid;hydride
CID 173426649
cobalt(2+);bis(2-dodecylnaphthalene-1-sulfonate)
CID 21277425
CID 87495207
CID 87495207
sodium;hydride;octyl naphthalene-1-sulfonate
CID 173042835
calcium;sodium;hydride;nonadecyl naphthalene-1-sulfonate
CID 174802695
calcium;decyl naphthalene-1-sulfonate;hydride
CID 175405341
calcium;dodecyl naphthalene-1-sulfonate;hydride
CID 173445411
tetracosyl naphthalene-1-sulfonate
CID 158617627
CID 160937661
CID 160937661

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate?
The IUPAC name of sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate (CID 173354968) is sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate.
What is the SMILES notation for sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate?
The canonical SMILES for sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate is CCCCCCCCCOS(=O)(=O)c1c(CCCCCCCCC)ccc2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate?
The InChIKey is BRALAXAEWXFROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O3S.Na.H/c1-3-5-7-9-11-13-15-20-26-23-22-25-19-16-17-21-27(25)28(26)32(29,30)31-24-18-14-12-10-8-6-4-2;;/h16-17,19,21-23H,3-15,18,20,24H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate?
sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate has a molecular weight of 484.72 g/mol, XLogP of 5.71, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;nonyl 2-nonylnaphthalene-1-sulfonate is sourced from PubChem (CID 173354968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).