2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide

C5H11F2N3O3S — CID 76928793

IUPAC2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2N3O3S/c1-2-10(3-4(8)9-11)14(12,13)5(6)7/h5,11H,2-3H2,1H3,(H2,8,9)
InChIKeyFEKYDHLVENUSGJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.39
Rot. Bonds5

About 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide

2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76928793) has the molecular formula C5H11F2N3O3S and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76928793
Molecular FormulaC5H11F2N3O3S
Molecular Weight231.22 g/mol
Exact Mass231.05
IUPAC Name2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2N3O3S/c1-2-10(3-4(8)9-11)14(12,13)5(6)7/h5,11H,2-3H2,1H3,(H2,8,9)
InChIKeyFEKYDHLVENUSGJ-UHFFFAOYSA-N
XLogP-0.39
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide (CID 76928793) is 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is FEKYDHLVENUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O3S/c1-2-10(3-4(8)9-11)14(12,13)5(6)7/h5,11H,2-3H2,1H3,(H2,8,9).
What are the key properties of 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 231.22 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76928793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).