N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide

C8H8F3N3O2S — CID 58538515

IUPACN'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide
SMILES[H]N=S(=O)(c1ccc(/C(N)=N/O)cc1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)17(13,16)6-3-1-5(2-4-6)7(12)14-15/h1-4,13,15H,(H2,12,14)
InChIKeyVKGVJIQHEGWMBS-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.71
Rot. Bonds2

About N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide

N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide (PubChem CID 58538515) has the molecular formula C8H8F3N3O2S and a molecular weight of 267.23 g/mol. Its IUPAC name is N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide
PubChem CID58538515
Molecular FormulaC8H8F3N3O2S
Molecular Weight267.23 g/mol
Exact Mass267.03
IUPAC NameN'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide
SMILES[H]N=S(=O)(c1ccc(/C(N)=N/O)cc1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)17(13,16)6-3-1-5(2-4-6)7(12)14-15/h1-4,13,15H,(H2,12,14)
InChIKeyVKGVJIQHEGWMBS-UHFFFAOYSA-N
XLogP1.71
TPSA99.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide (CID 58538515) is N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide is [H]N=S(=O)(c1ccc(/C(N)=N/O)cc1)C(F)(F)F.
What is the InChIKey of N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide?
The InChIKey is VKGVJIQHEGWMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2S/c9-8(10,11)17(13,16)6-3-1-5(2-4-6)7(12)14-15/h1-4,13,15H,(H2,12,14).
What are the key properties of N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide?
N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide has a molecular weight of 267.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide is sourced from PubChem (CID 58538515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).