N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide

C8H7F3N2OS — CID 43140202

IUPACN'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKeyOYUJFDGHLIGSRR-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.39
Rot. Bonds2

About N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide

N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide (PubChem CID 43140202) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide
PubChem CID43140202
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC NameN'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKeyOYUJFDGHLIGSRR-UHFFFAOYSA-N
XLogP2.39
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide (CID 43140202) is N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide is N/C(=N\O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide?
The InChIKey is OYUJFDGHLIGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13).
What are the key properties of N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide?
N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide has a molecular weight of 236.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 43140202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).