sodium;hydride;tetradecyl benzenesulfonate

C20H35NaO3S — CID 173118998

IUPACsodium;hydride;tetradecyl benzenesulfonate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C20H34O3S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-24(21,22)20-17-14-13-15-18-20;;/h13-15,17-18H,2-12,16,19H2,1H3;;/q;+1;-1
InChIKeyKRNUVOXMYZRTMI-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.21
Rot. Bonds15

About sodium;hydride;tetradecyl benzenesulfonate

sodium;hydride;tetradecyl benzenesulfonate (PubChem CID 173118998) has the molecular formula C20H35NaO3S and a molecular weight of 378.55 g/mol. Its IUPAC name is sodium;hydride;tetradecyl benzenesulfonate.

Molecular Properties

Compound Namesodium;hydride;tetradecyl benzenesulfonate
PubChem CID173118998
Molecular FormulaC20H35NaO3S
Molecular Weight378.55 g/mol
Exact Mass378.22
IUPAC Namesodium;hydride;tetradecyl benzenesulfonate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C20H34O3S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-24(21,22)20-17-14-13-15-18-20;;/h13-15,17-18H,2-12,16,19H2,1H3;;/q;+1;-1
InChIKeyKRNUVOXMYZRTMI-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.21
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

tetrasodium;dodecyl benzenesulfonate;hydride
CID 175041944
lithium;dodecyl benzenesulfonate;hydride
CID 173012007
potassium;hydride;pentadecyl benzenesulfonate
CID 173412768
calcium;decyl benzenesulfonate;hydride
CID 173115657
disodium;dodecyl benzenesulfonate;dibromide
CID 159332987
CID 157196428
CID 157196428
CID 161209831
CID 161209831
CID 159146829
CID 159146829
CID 172858891
CID 172858891
hexadecyl benzenesulfonate
CID 5238354
azane;tetradecyl benzenesulfonate
CID 87099151
azane;dodecyl benzenesulfonate
CID 172704339

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;tetradecyl benzenesulfonate?
The IUPAC name of sodium;hydride;tetradecyl benzenesulfonate (CID 173118998) is sodium;hydride;tetradecyl benzenesulfonate.
What is the SMILES notation for sodium;hydride;tetradecyl benzenesulfonate?
The canonical SMILES for sodium;hydride;tetradecyl benzenesulfonate is CCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;tetradecyl benzenesulfonate?
The InChIKey is KRNUVOXMYZRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-24(21,22)20-17-14-13-15-18-20;;/h13-15,17-18H,2-12,16,19H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;tetradecyl benzenesulfonate?
sodium;hydride;tetradecyl benzenesulfonate has a molecular weight of 378.55 g/mol, XLogP of 3.21, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;tetradecyl benzenesulfonate is sourced from PubChem (CID 173118998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).