2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide

C8H8F3N3O3S — CID 82685246

IUPAC2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H8F3N3O3S/c9-4-1-2-6(5(3-4)7(12)13-15)14-18(16,17)8(10)11/h1-3,8,14-15H,(H2,12,13)
InChIKeyPFKDJCIIYNKCLA-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.88
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 82685246) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID82685246
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H8F3N3O3S/c9-4-1-2-6(5(3-4)7(12)13-15)14-18(16,17)8(10)11/h1-3,8,14-15H,(H2,12,13)
InChIKeyPFKDJCIIYNKCLA-UHFFFAOYSA-N
XLogP0.88
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.88
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'}

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Related Compounds

4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050392
2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
CID 61132903
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 82685115
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 82685689
2-butan-2-ylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004102
5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004439
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82683778
2-[(2-chloro-4-fluoroanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77028971
N-[4-fluoro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 82685683
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76923039
2-[4-fluoro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfanyl-N-methylacetamide
CID 114231741

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 82685246) is 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1NS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PFKDJCIIYNKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c9-4-1-2-6(5(3-4)7(12)13-15)14-18(16,17)8(10)11/h1-3,8,14-15H,(H2,12,13).
What are the key properties of 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 283.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82685246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).