3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide

C5H11F2N3O3S — CID 76934597

IUPAC3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2N3O3S/c1-3(2-4(8)9-11)10-14(12,13)5(6)7/h3,5,10-11H,2H2,1H3,(H2,8,9)
InChIKeyVIRDDOXGJIJRMA-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.35
Rot. Bonds5

About 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide

3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 76934597) has the molecular formula C5H11F2N3O3S and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID76934597
Molecular FormulaC5H11F2N3O3S
Molecular Weight231.22 g/mol
Exact Mass231.05
IUPAC Name3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2N3O3S/c1-3(2-4(8)9-11)10-14(12,13)5(6)7/h3,5,10-11H,2H2,1H3,(H2,8,9)
InChIKeyVIRDDOXGJIJRMA-UHFFFAOYSA-N
XLogP-0.35
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
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'}

Analyze 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide (CID 76934597) is 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)NS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is VIRDDOXGJIJRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O3S/c1-3(2-4(8)9-11)10-14(12,13)5(6)7/h3,5,10-11H,2H2,1H3,(H2,8,9).
What are the key properties of 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 231.22 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76934597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).