N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C4H9F3N4O3S — CID 104978309

IUPACN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILESNC(CNS(=O)(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C4H9F3N4O3S/c5-4(6,7)2-10-15(13,14)9-1-3(8)11-12/h9-10,12H,1-2H2,(H2,8,11)
InChIKeyWVBVLLAUEPZBMD-UHFFFAOYSA-N
MW250.20 g/mol
LogP-1.28
Rot. Bonds5

About N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 104978309) has the molecular formula C4H9F3N4O3S and a molecular weight of 250.20 g/mol. Its IUPAC name is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID104978309
Molecular FormulaC4H9F3N4O3S
Molecular Weight250.20 g/mol
Exact Mass250.03
IUPAC NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILESNC(CNS(=O)(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C4H9F3N4O3S/c5-4(6,7)2-10-15(13,14)9-1-3(8)11-12/h9-10,12H,1-2H2,(H2,8,11)
InChIKeyWVBVLLAUEPZBMD-UHFFFAOYSA-N
XLogP-1.28
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978387
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 113637622
N'-hydroxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637629
N'-hydroxy-5-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 113637647
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanimidamide
CID 114813247
N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978308
2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978310
N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985756

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 104978309) is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is NC(CNS(=O)(=O)NCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is WVBVLLAUEPZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N4O3S/c5-4(6,7)2-10-15(13,14)9-1-3(8)11-12/h9-10,12H,1-2H2,(H2,8,11).
What are the key properties of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 250.20 g/mol, XLogP of -1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).