N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide

C13H27F2NO5S2 — CID 58962027

IUPACN-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C13H27F2NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(18,19)13(14,15)22-21-20-17/h16-17H,2-12H2,1H3
InChIKeyRUWFTFNIJACHEN-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.45
Rot. Bonds16

About N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide

N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide (PubChem CID 58962027) has the molecular formula C13H27F2NO5S2 and a molecular weight of 379.49 g/mol. Its IUPAC name is N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide.

Molecular Properties

Compound NameN-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
PubChem CID58962027
Molecular FormulaC13H27F2NO5S2
Molecular Weight379.49 g/mol
Exact Mass379.13
IUPAC NameN-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C13H27F2NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(18,19)13(14,15)22-21-20-17/h16-17H,2-12H2,1H3
InChIKeyRUWFTFNIJACHEN-UHFFFAOYSA-N
XLogP4.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The IUPAC name of N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide (CID 58962027) is N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide.
What is the SMILES notation for N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The canonical SMILES for N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide is CCCCCCCCCCCCNS(=O)(=O)C(F)(F)SOOO.
What is the InChIKey of N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The InChIKey is RUWFTFNIJACHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(18,19)13(14,15)22-21-20-17/h16-17H,2-12H2,1H3.
What are the key properties of N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide has a molecular weight of 379.49 g/mol, XLogP of 4.45, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide is sourced from PubChem (CID 58962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).