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

C4H9F2N3O3S — CID 76929468

IUPAC2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2N3O3S/c1-9(2-3(7)8-10)13(11,12)4(5)6/h4,10H,2H2,1H3,(H2,7,8)
InChIKeyARUVYNYVXFJVFM-UHFFFAOYSA-N
MW217.20 g/mol
LogP-0.78
Rot. Bonds4

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

2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76929468) has the molecular formula C4H9F2N3O3S and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide
PubChem CID76929468
Molecular FormulaC4H9F2N3O3S
Molecular Weight217.20 g/mol
Exact Mass217.03
IUPAC Name2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2N3O3S/c1-9(2-3(7)8-10)13(11,12)4(5)6/h4,10H,2H2,1H3,(H2,7,8)
InChIKeyARUVYNYVXFJVFM-UHFFFAOYSA-N
XLogP-0.78
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.78
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(methyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide (CID 76929468) is 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is ARUVYNYVXFJVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N3O3S/c1-9(2-3(7)8-10)13(11,12)4(5)6/h4,10H,2H2,1H3,(H2,7,8).
What are the key properties of 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide?
2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 217.20 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).