5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

C15H14F2N2OS — CID 65339872

IUPAC5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ccc(F)c(F)c2)ccc1OC
InChIInChI=1S/C15H14F2N2OS/c1-20-14-5-2-9(6-11(14)15(18)19)8-21-10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyLGLVZGSPZAHMMB-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.55
Rot. Bonds5

About 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (PubChem CID 65339872) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
PubChem CID65339872
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ccc(F)c(F)c2)ccc1OC
InChIInChI=1S/C15H14F2N2OS/c1-20-14-5-2-9(6-11(14)15(18)19)8-21-10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyLGLVZGSPZAHMMB-UHFFFAOYSA-N
XLogP3.55
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.55
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-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791895
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
4-[(4-bromophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791920
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340065
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (CID 65339872) is 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CSc2ccc(F)c(F)c2)ccc1OC.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is LGLVZGSPZAHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-20-14-5-2-9(6-11(14)15(18)19)8-21-10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3,(H3,18,19).
What are the key properties of 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 308.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65339872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).