2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

C13H9BrF2N2OS — CID 114884290

IUPAC2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9BrF2N2OS/c14-8-2-1-3-11(12(8)13(17)18-19)20-7-4-5-9(15)10(16)6-7/h1-6,19H,(H2,17,18)
InChIKeyJYHJKWFFMBVHDF-UHFFFAOYSA-N
MW359.20 g/mol
LogP3.97
Rot. Bonds3

About 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide

2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 114884290) has the molecular formula C13H9BrF2N2OS and a molecular weight of 359.20 g/mol. Its IUPAC name is 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID114884290
Molecular FormulaC13H9BrF2N2OS
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC Name2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H9BrF2N2OS/c14-8-2-1-3-11(12(8)13(17)18-19)20-7-4-5-9(15)10(16)6-7/h1-6,19H,(H2,17,18)
InChIKeyJYHJKWFFMBVHDF-UHFFFAOYSA-N
XLogP3.97
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 53.97
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114884313
2-bromo-N'-hydroxy-6-phenylsulfanylbenzenecarboximidamide
CID 114884262
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 114884333
2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 78981401
2-bromo-N'-hydroxy-6-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 114884308
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177139
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
2-bromo-6-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107169381
3-bromo-4-(4-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799463
[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63812967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide (CID 114884290) is 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is JYHJKWFFMBVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2OS/c14-8-2-1-3-11(12(8)13(17)18-19)20-7-4-5-9(15)10(16)6-7/h1-6,19H,(H2,17,18).
What are the key properties of 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 359.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114884290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).