2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide

C8H9FN2O3S — CID 71413608

IUPAC2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1ccc(C(N)=NO)c(F)c1
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyXLNNFNYGUKLVEW-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.32
Rot. Bonds2

About 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide

2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide (PubChem CID 71413608) has the molecular formula C8H9FN2O3S and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
PubChem CID71413608
Molecular FormulaC8H9FN2O3S
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
SMILESCS(=O)(=O)c1ccc(C(N)=NO)c(F)c1
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyXLNNFNYGUKLVEW-UHFFFAOYSA-N
XLogP0.32
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.32
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-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide (CID 71413608) is 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide is CS(=O)(=O)c1ccc(C(N)=NO)c(F)c1.
What is the InChIKey of 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
The InChIKey is XLNNFNYGUKLVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S/c1-15(13,14)5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,1H3,(H2,10,11).
What are the key properties of 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide?
2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide has a molecular weight of 232.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 71413608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).