potassium;hydride;pentadecyl benzenesulfonate

C21H37KO3S — CID 173412768

IUPACpotassium;hydride;pentadecyl benzenesulfonate
SMILESCCCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[K+]
InChIInChI=1S/C21H36O3S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-25(22,23)21-18-15-14-16-19-21;;/h14-16,18-19H,2-13,17,20H2,1H3;;/q;+1;-1
InChIKeyBFOIUJYOIFRZAG-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.60
Rot. Bonds16

About potassium;hydride;pentadecyl benzenesulfonate

potassium;hydride;pentadecyl benzenesulfonate (PubChem CID 173412768) has the molecular formula C21H37KO3S and a molecular weight of 408.69 g/mol. Its IUPAC name is potassium;hydride;pentadecyl benzenesulfonate.

Molecular Properties

Compound Namepotassium;hydride;pentadecyl benzenesulfonate
PubChem CID173412768
Molecular FormulaC21H37KO3S
Molecular Weight408.69 g/mol
Exact Mass408.21
IUPAC Namepotassium;hydride;pentadecyl benzenesulfonate
SMILESCCCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[K+]
InChIInChI=1S/C21H36O3S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-25(22,23)21-18-15-14-16-19-21;;/h14-16,18-19H,2-13,17,20H2,1H3;;/q;+1;-1
InChIKeyBFOIUJYOIFRZAG-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.60
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

lithium;dodecyl benzenesulfonate;hydride
CID 173012007
sodium;hydride;tetradecyl benzenesulfonate
CID 173118998
calcium;decyl benzenesulfonate;hydride
CID 173115657
tetrasodium;dodecyl benzenesulfonate;hydride
CID 175041944
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
CID 162312905
CID 162312905
alumane;dodecyl benzenesulfonate
CID 173065737

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;pentadecyl benzenesulfonate?
The IUPAC name of potassium;hydride;pentadecyl benzenesulfonate (CID 173412768) is potassium;hydride;pentadecyl benzenesulfonate.
What is the SMILES notation for potassium;hydride;pentadecyl benzenesulfonate?
The canonical SMILES for potassium;hydride;pentadecyl benzenesulfonate is CCCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[K+].
What is the InChIKey of potassium;hydride;pentadecyl benzenesulfonate?
The InChIKey is BFOIUJYOIFRZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-25(22,23)21-18-15-14-16-19-21;;/h14-16,18-19H,2-13,17,20H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;pentadecyl benzenesulfonate?
potassium;hydride;pentadecyl benzenesulfonate has a molecular weight of 408.69 g/mol, XLogP of 3.60, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;pentadecyl benzenesulfonate is sourced from PubChem (CID 173412768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).