[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide

C5H5F6N2O5S3- — CID 20750477

IUPAC[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
SMILESC=CCS(=O)(=O)N=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6N2O5S3/c1-2-3-19(14,15)12-20(16,4(6,7)8)13-21(17,18)5(9,10)11/h2H,1,3H2/q-1
InChIKeyHSQBBQMMGIVIQO-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.63
Rot. Bonds5

About [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide

[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide (PubChem CID 20750477) has the molecular formula C5H5F6N2O5S3- and a molecular weight of 383.29 g/mol. Its IUPAC name is [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
PubChem CID20750477
Molecular FormulaC5H5F6N2O5S3-
Molecular Weight383.29 g/mol
Exact Mass382.93
IUPAC Name[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide
SMILESC=CCS(=O)(=O)N=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6N2O5S3/c1-2-3-19(14,15)12-20(16,4(6,7)8)13-21(17,18)5(9,10)11/h2H,1,3H2/q-1
InChIKeyHSQBBQMMGIVIQO-UHFFFAOYSA-N
XLogP1.63
TPSA111.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[oxo-(trifluoromethyl)-(trifluoromethylsulfonylamino)-lambda6-sulfanylidene]prop-2-ene-1-sulfonamide
CID 20750478
Prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046752
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
Trifluoromethylsulfonyl prop-2-ene-1-sulfonate
CID 88246578
1,1,1-trifluoro-N-prop-2-enylsulfonyl-N'-(trifluoromethylsulfonyl)methanesulfonodiimidic acid
CID 90726522
1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
CID 118292867

Frequently Asked Questions

What is the IUPAC name of [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide (CID 20750477) is [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide is C=CCS(=O)(=O)N=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
The InChIKey is HSQBBQMMGIVIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6N2O5S3/c1-2-3-19(14,15)12-20(16,4(6,7)8)13-21(17,18)5(9,10)11/h2H,1,3H2/q-1.
What are the key properties of [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide?
[N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide has a molecular weight of 383.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [N-prop-2-enylsulfonyl-S-(trifluoromethyl)sulfonimidoyl]-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 20750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).