2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H12BrFN2OS — CID 107537085

IUPAC2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccccc2OC)c(F)c1Br
InChIInChI=1S/C14H12BrFN2OS/c1-19-9-4-2-3-5-10(9)20-11-7-6-8(14(17)18)12(15)13(11)16/h2-7H,1H3,(H3,17,18)
InChIKeyQZWLOSBAXHGREM-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.03
Rot. Bonds4

About 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 107537085) has the molecular formula C14H12BrFN2OS and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID107537085
Molecular FormulaC14H12BrFN2OS
Molecular Weight355.23 g/mol
Exact Mass353.98
IUPAC Name2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccccc2OC)c(F)c1Br
InChIInChI=1S/C14H12BrFN2OS/c1-19-9-4-2-3-5-10(9)20-11-7-6-8(14(17)18)12(15)13(11)16/h2-7H,1H3,(H3,17,18)
InChIKeyQZWLOSBAXHGREM-UHFFFAOYSA-N
XLogP4.03
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.03
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-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide
CID 107537083
5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109
2-bromo-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084
2-bromo-4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537045
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-3-fluoro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenecarboximidamide
CID 107537067
2-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537092
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-bromo-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-fluorobenzenecarboximidamide
CID 107537123

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 107537085) is 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2ccccc2OC)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is QZWLOSBAXHGREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2OS/c1-19-9-4-2-3-5-10(9)20-11-7-6-8(14(17)18)12(15)13(11)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 355.23 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107537085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).