N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide

C13H26F2NO5S2- — CID 58962026

IUPACN-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)(F)SOO[O-]
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/p-1
InChIKeyRUWFTFNIJACHEN-UHFFFAOYSA-M
MW378.48 g/mol
LogP3.25
Rot. Bonds16

About N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide

N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide (PubChem CID 58962026) has the molecular formula C13H26F2NO5S2- and a molecular weight of 378.48 g/mol. Its IUPAC name is N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide.

Molecular Properties

Compound NameN-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
PubChem CID58962026
Molecular FormulaC13H26F2NO5S2-
Molecular Weight378.48 g/mol
Exact Mass378.12
IUPAC NameN-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)C(F)(F)SOO[O-]
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/p-1
InChIKeyRUWFTFNIJACHEN-UHFFFAOYSA-M
XLogP3.25
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
N-decyl-1,1,1-trifluoromethanesulfonamide
CID 87227692
1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
N-(7,7,7-trifluoroheptyl)methanesulfonamide
CID 138981048
Dodecan-1-amine;trifluoromethanesulfonic acid
CID 12856129
Octadecylazanium;trifluoromethanesulfonate
CID 18186050
N-decyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 20406355
1,1,1-trifluoro-N-octylmethanesulfonamide
CID 54527163
1,1-difluoro-N-octadecylmethanesulfonamide
CID 58435929
N-dodecyl-1,1-difluoromethanesulfonamide
CID 58435936
N-dodecyl-1,1-difluoroethanesulfonamide
CID 58435959
1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide
CID 58833888

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
The IUPAC name of N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide (CID 58962026) is N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide.
What is the SMILES notation for N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
The canonical SMILES for N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide is CCCCCCCCCCCCNS(=O)(=O)C(F)(F)SOO[O-].
What is the InChIKey of N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
The InChIKey is RUWFTFNIJACHEN-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.25, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide is sourced from PubChem (CID 58962026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).