5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

C15H15FN2OS — CID 65340206

IUPAC5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ccccc2F)ccc1OC
InChIInChI=1S/C15H15FN2OS/c1-19-13-7-6-10(8-11(13)15(17)18)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyZOEWTRJSFGPKLF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.41
Rot. Bonds5

About 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (PubChem CID 65340206) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
PubChem CID65340206
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ccccc2F)ccc1OC
InChIInChI=1S/C15H15FN2OS/c1-19-13-7-6-10(8-11(13)15(17)18)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyZOEWTRJSFGPKLF-UHFFFAOYSA-N
XLogP3.41
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.41
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'}

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Related Compounds

5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65339872
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340065
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791895

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (CID 65340206) is 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CSc2ccccc2F)ccc1OC.
What is the InChIKey of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is ZOEWTRJSFGPKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-19-13-7-6-10(8-11(13)15(17)18)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 290.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65340206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).