2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide

C10H13FN2O2S2 — CID 79522221

IUPAC2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SCCS(C)(=O)=O
InChIInChI=1S/C10H13FN2O2S2/c1-17(14,15)6-5-16-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13)
InChIKeyRVFZTFBZBCEPOI-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.25
Rot. Bonds5

About 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide

2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide (PubChem CID 79522221) has the molecular formula C10H13FN2O2S2 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
PubChem CID79522221
Molecular FormulaC10H13FN2O2S2
Molecular Weight276.36 g/mol
Exact Mass276.04
IUPAC Name2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SCCS(C)(=O)=O
InChIInChI=1S/C10H13FN2O2S2/c1-17(14,15)6-5-16-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13)
InChIKeyRVFZTFBZBCEPOI-UHFFFAOYSA-N
XLogP1.25
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide (CID 79522221) is 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1SCCS(C)(=O)=O.
What is the InChIKey of 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
The InChIKey is RVFZTFBZBCEPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S2/c1-17(14,15)6-5-16-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13).
What are the key properties of 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide has a molecular weight of 276.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 79522221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).