3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide

C9H11FN2O2S — CID 54250519

IUPAC3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide
SMILESNC(CCS(=O)c1ccc(F)cc1)=NO
InChIInChI=1S/C9H11FN2O2S/c10-7-1-3-8(4-2-7)15(14)6-5-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyQWKDVLPWJSZBHS-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.07
Rot. Bonds4

About 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide

3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide (PubChem CID 54250519) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide
PubChem CID54250519
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide
SMILESNC(CCS(=O)c1ccc(F)cc1)=NO
InChIInChI=1S/C9H11FN2O2S/c10-7-1-3-8(4-2-7)15(14)6-5-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyQWKDVLPWJSZBHS-UHFFFAOYSA-N
XLogP1.07
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide (CID 54250519) is 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide is NC(CCS(=O)c1ccc(F)cc1)=NO.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide?
The InChIKey is QWKDVLPWJSZBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-7-1-3-8(4-2-7)15(14)6-5-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide?
3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide has a molecular weight of 230.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide is sourced from PubChem (CID 54250519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).