3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide

C15H15FN2OS — CID 43187677

IUPAC3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide
SMILESCc1ccc(SCc2ccc(/C(N)=N/O)cc2F)cc1
InChIInChI=1S/C15H15FN2OS/c1-10-2-6-13(7-3-10)20-9-12-5-4-11(8-14(12)16)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyKDOSVDGMAKBQPL-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.52
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 43187677) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide
PubChem CID43187677
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide
SMILESCc1ccc(SCc2ccc(/C(N)=N/O)cc2F)cc1
InChIInChI=1S/C15H15FN2OS/c1-10-2-6-13(7-3-10)20-9-12-5-4-11(8-14(12)16)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyKDOSVDGMAKBQPL-UHFFFAOYSA-N
XLogP3.52
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.52
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-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide (CID 43187677) is 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide is Cc1ccc(SCc2ccc(/C(N)=N/O)cc2F)cc1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is KDOSVDGMAKBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-2-6-13(7-3-10)20-9-12-5-4-11(8-14(12)16)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 290.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[(4-methylphenyl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 43187677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).