2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide

C8H9FN2O3S — CID 2737258

IUPAC2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide
SMILESNC(CS(=O)(=O)c1ccc(F)cc1)=NO
InChIInChI=1S/C8H9FN2O3S/c9-6-1-3-7(4-2-6)15(13,14)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKeySTPCRDRACVTHTE-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.35
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide

2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide (PubChem CID 2737258) has the molecular formula C8H9FN2O3S and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide
PubChem CID2737258
Molecular FormulaC8H9FN2O3S
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide
SMILESNC(CS(=O)(=O)c1ccc(F)cc1)=NO
InChIInChI=1S/C8H9FN2O3S/c9-6-1-3-7(4-2-6)15(13,14)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKeySTPCRDRACVTHTE-UHFFFAOYSA-N
XLogP0.35
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.35
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-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide (CID 2737258) is 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide is NC(CS(=O)(=O)c1ccc(F)cc1)=NO.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide?
The InChIKey is STPCRDRACVTHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S/c9-6-1-3-7(4-2-6)15(13,14)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide?
2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide has a molecular weight of 232.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 2737258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).