4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide

C5H11F2N3O3S — CID 76953042

IUPAC4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)C(F)F)=NO
InChIInChI=1S/C5H11F2N3O3S/c6-5(7)14(12,13)9-3-1-2-4(8)10-11/h5,9,11H,1-3H2,(H2,8,10)
InChIKeyKVBYKXLORMBIEL-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.34
Rot. Bonds6

About 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide

4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 76953042) has the molecular formula C5H11F2N3O3S and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID76953042
Molecular FormulaC5H11F2N3O3S
Molecular Weight231.22 g/mol
Exact Mass231.05
IUPAC Name4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)C(F)F)=NO
InChIInChI=1S/C5H11F2N3O3S/c6-5(7)14(12,13)9-3-1-2-4(8)10-11/h5,9,11H,1-3H2,(H2,8,10)
InChIKeyKVBYKXLORMBIEL-UHFFFAOYSA-N
XLogP-0.34
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide (CID 76953042) is 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide is NC(CCCNS(=O)(=O)C(F)F)=NO.
What is the InChIKey of 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is KVBYKXLORMBIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O3S/c6-5(7)14(12,13)9-3-1-2-4(8)10-11/h5,9,11H,1-3H2,(H2,8,10).
What are the key properties of 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide?
4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 231.22 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76953042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).