2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide

C14H13FN2O2S2 — CID 79517932

IUPAC2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H13FN2O2S2/c1-21(18,19)10-7-5-9(6-8-10)20-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyRWPTYLCJWXUZNI-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.66
Rot. Bonds4

About 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide

2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 79517932) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
PubChem CID79517932
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H13FN2O2S2/c1-21(18,19)10-7-5-9(6-8-10)20-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyRWPTYLCJWXUZNI-UHFFFAOYSA-N
XLogP2.66
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.66
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-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide (CID 79517932) is 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Sc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is RWPTYLCJWXUZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c1-21(18,19)10-7-5-9(6-8-10)20-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide?
2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 324.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 79517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).