N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

C9H6F13NO4S2 — CID 175898099

IUPACN-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
SMILESC=CS(=O)(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F13NO4S2/c1-2-28(24,25)3-23-29(26,27)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2,23H,1,3H2
InChIKeyWGEYRCGWAWWSQB-UHFFFAOYSA-N
MW503.26 g/mol
LogP3.12
Rot. Bonds9

About N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide (PubChem CID 175898099) has the molecular formula C9H6F13NO4S2 and a molecular weight of 503.26 g/mol. Its IUPAC name is N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide.

Molecular Properties

Compound NameN-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
PubChem CID175898099
Molecular FormulaC9H6F13NO4S2
Molecular Weight503.26 g/mol
Exact Mass502.95
IUPAC NameN-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
SMILESC=CS(=O)(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F13NO4S2/c1-2-28(24,25)3-23-29(26,27)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2,23H,1,3H2
InChIKeyWGEYRCGWAWWSQB-UHFFFAOYSA-N
XLogP3.12
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyprop-2-enyl)octane-1-sulfonamide
CID 165362509
N-(2-ethenoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 18759484
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluoro-N-propyltridecane-1-sulfonamide
CID 165364439
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-hydroxyethyl)decane-1-sulfonamide
CID 57144434
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)acetic acid
CID 139595852
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide;ethyl prop-2-enoate
CID 160803871
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl prop-2-enoate
CID 87091666
azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate
CID 134814664
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)hexane-1-sulfonamide
CID 141055320
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonohydrazide
CID 155317025
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)octane-1-sulfonamide
CID 18759482

Frequently Asked Questions

What is the IUPAC name of N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The IUPAC name of N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide (CID 175898099) is N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide.
What is the SMILES notation for N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The canonical SMILES for N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide is C=CS(=O)(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The InChIKey is WGEYRCGWAWWSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F13NO4S2/c1-2-28(24,25)3-23-29(26,27)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2,23H,1,3H2.
What are the key properties of N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide has a molecular weight of 503.26 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenylsulfonylmethyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide is sourced from PubChem (CID 175898099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).