2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide

C14H13FN2OS — CID 78981401

IUPAC2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2cccc(F)c2C(N)=NO)cc1
InChIInChI=1S/C14H13FN2OS/c1-9-5-7-10(8-6-9)19-12-4-2-3-11(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyRCAMYULMWANJBE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.38
Rot. Bonds3

About 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide

2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 78981401) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
PubChem CID78981401
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2cccc(F)c2C(N)=NO)cc1
InChIInChI=1S/C14H13FN2OS/c1-9-5-7-10(8-6-9)19-12-4-2-3-11(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyRCAMYULMWANJBE-UHFFFAOYSA-N
XLogP3.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.38
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 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide (CID 78981401) is 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide is Cc1ccc(Sc2cccc(F)c2C(N)=NO)cc1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is RCAMYULMWANJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-9-5-7-10(8-6-9)19-12-4-2-3-11(15)13(12)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 276.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 78981401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).