2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide

C13H10BrFN2S — CID 79522375

IUPAC2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C13H10BrFN2S/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)13(16)17/h1-7H,(H3,16,17)
InChIKeyKTNWKLUKKLUPBG-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.02
Rot. Bonds3

About 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide

2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide (PubChem CID 79522375) has the molecular formula C13H10BrFN2S and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
PubChem CID79522375
Molecular FormulaC13H10BrFN2S
Molecular Weight325.21 g/mol
Exact Mass323.97
IUPAC Name2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C13H10BrFN2S/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)13(16)17/h1-7H,(H3,16,17)
InChIKeyKTNWKLUKKLUPBG-UHFFFAOYSA-N
XLogP4.02
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
CID 62494952
2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 79517932
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
CID 79522067
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
2-fluoro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 79522863
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
2-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
3-(2-bromophenyl)sulfanylpyrazine-2-carboximidamide
CID 62685598
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114884449

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide (CID 79522375) is 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
The InChIKey is KTNWKLUKKLUPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2S/c14-8-4-1-2-6-10(8)18-11-7-3-5-9(15)12(11)13(16)17/h1-7H,(H3,16,17).
What are the key properties of 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide?
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide has a molecular weight of 325.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79522375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).