1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide

C16H28F6NO5S2- — CID 58833888

IUPAC1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide
SMILESCCCCCCCCCCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-]
InChIInChI=1S/C16H29F6NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30(25,26)16(21,22)14(17,18)15(19,20)29-28-27-24/h23-24H,2-13H2,1H3/p-1
InChIKeyKQKVKLHFVZVAJM-UHFFFAOYSA-M
MW492.52 g/mol
LogP4.91
Rot. Bonds19

About 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide

1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide (PubChem CID 58833888) has the molecular formula C16H28F6NO5S2- and a molecular weight of 492.52 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide
PubChem CID58833888
Molecular FormulaC16H28F6NO5S2-
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide
SMILESCCCCCCCCCCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-]
InChIInChI=1S/C16H29F6NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30(25,26)16(21,22)14(17,18)15(19,20)29-28-27-24/h23-24H,2-13H2,1H3/p-1
InChIKeyKQKVKLHFVZVAJM-UHFFFAOYSA-M
XLogP4.91
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.91
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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 22352711
1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
1-Octanesulfonamide, N-dodecyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
CID 156603
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonic acid;octadecan-1-amine
CID 14596326
N-decyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 20406355
1,1,2,2,3,3,4,4,4-nonafluoro-N-octadecylbutane-1-sulfonamide
CID 20406357
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-octadecyloctane-1-sulfonamide
CID 20406359
N-Decylperfluorooctanesulfonamide
CID 22352717
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluoro-N-propyloctadecane-1-sulfonamide
CID 53677696
N-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)butane-1-sulfonamide
CID 53686783
1,1-difluoro-N-octadecylethanesulfonamide
CID 58122746

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide (CID 58833888) is 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide is CCCCCCCCCCCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-].
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide?
The InChIKey is KQKVKLHFVZVAJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H29F6NO5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30(25,26)16(21,22)14(17,18)15(19,20)29-28-27-24/h23-24H,2-13H2,1H3/p-1.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide has a molecular weight of 492.52 g/mol, XLogP of 4.91, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide is sourced from PubChem (CID 58833888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).