N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide

C5H6F5NO4S2 — CID 20705408

IUPACN-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N=S(=O)(OC(F)F)C(F)(F)F
InChIInChI=1S/C5H6F5NO4S2/c1-2-3-16(12,13)11-17(14,5(8,9)10)15-4(6)7/h2,4H,1,3H2
InChIKeyKMEYJUISWJUJSZ-UHFFFAOYSA-N
MW303.23 g/mol
LogP1.64
Rot. Bonds5

About N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide

N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide (PubChem CID 20705408) has the molecular formula C5H6F5NO4S2 and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide
PubChem CID20705408
Molecular FormulaC5H6F5NO4S2
Molecular Weight303.23 g/mol
Exact Mass302.97
IUPAC NameN-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N=S(=O)(OC(F)F)C(F)(F)F
InChIInChI=1S/C5H6F5NO4S2/c1-2-3-16(12,13)11-17(14,5(8,9)10)15-4(6)7/h2,4H,1,3H2
InChIKeyKMEYJUISWJUJSZ-UHFFFAOYSA-N
XLogP1.64
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 51.64
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

[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
Prop-2-enylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046752
N-(trifluoromethylsulfonyl)prop-2-ene-1-sulfonamide
CID 59046753
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
Prop-2-enylsulfanyl 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 139974888

Frequently Asked Questions

What is the IUPAC name of N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide (CID 20705408) is N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N=S(=O)(OC(F)F)C(F)(F)F.
What is the InChIKey of N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
The InChIKey is KMEYJUISWJUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO4S2/c1-2-3-16(12,13)11-17(14,5(8,9)10)15-4(6)7/h2,4H,1,3H2.
What are the key properties of N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide?
N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide has a molecular weight of 303.23 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoromethoxy-oxo-(trifluoromethyl)-λ6-sulfanylidene]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 20705408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).