prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide

C4H5F3NO4S2- — CID 59046752

IUPACprop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESC=CCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H5F3NO4S2/c1-2-3-13(9,10)8-14(11,12)4(5,6)7/h2H,1,3H2/q-1
InChIKeyHFKYWXUNQZOBCB-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.73
Rot. Bonds4

About prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide

prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59046752) has the molecular formula C4H5F3NO4S2- and a molecular weight of 252.21 g/mol. Its IUPAC name is prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Nameprop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59046752
Molecular FormulaC4H5F3NO4S2-
Molecular Weight252.21 g/mol
Exact Mass251.96
IUPAC Nameprop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESC=CCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H5F3NO4S2/c1-2-3-13(9,10)8-14(11,12)4(5,6)7/h2H,1,3H2/q-1
InChIKeyHFKYWXUNQZOBCB-UHFFFAOYSA-N
XLogP0.73
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[difluoromethoxy-oxo-(trifluoromethyl)-lambda6-sulfanylidene]prop-2-ene-1-sulfonamide
CID 20705408
[S-(difluoromethyl)-N-prop-2-enylsulfonylsulfonimidoyl] hypofluorite
CID 20705422
[S-(difluoromethyl)-N-[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]sulfonimidoyl] hypofluorite
CID 20720019
[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
CID 20750477
N-[oxo-(trifluoromethyl)-(trifluoromethylsulfonylamino)-lambda6-sulfanylidene]prop-2-ene-1-sulfonamide
CID 20750478
N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide
CID 59046753
1-fluoro-N-(1-fluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
CID 87173769
3-(2,2,2-Trifluoroethylsulfonylsulfonyl)prop-1-ene
CID 87303488
3-(Trifluoromethylsulfonylsulfonyl)prop-1-ene
CID 87442667
Trifluoromethyl prop-2-ene-1-sulfonate
CID 87577592
[Difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate
CID 87856380
1-Fluoroprop-2-enylsulfonyl 1-fluoroprop-2-ene-1-sulfonate
CID 88192811

Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59046752) is prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide is C=CCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is HFKYWXUNQZOBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3NO4S2/c1-2-3-13(9,10)8-14(11,12)4(5,6)7/h2H,1,3H2/q-1.
What are the key properties of prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide?
prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 252.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).