N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide

C10H11F3N2O2S — CID 43617542

IUPACN'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)ccc1SCCO
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)6-1-2-8(18-4-3-16)7(5-6)9(14)15-17/h1-2,5,16-17H,3-4H2,(H2,14,15)
InChIKeyDVKKIWFPFCCOKG-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.88
Rot. Bonds4

About N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43617542) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43617542
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC NameN'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cc(C(F)(F)F)ccc1SCCO
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)6-1-2-8(18-4-3-16)7(5-6)9(14)15-17/h1-2,5,16-17H,3-4H2,(H2,14,15)
InChIKeyDVKKIWFPFCCOKG-UHFFFAOYSA-N
XLogP1.88
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

CID 43140202
CID 43140202
N'-Hydroxy-4-[(trifluoromethyl)sulphanyl]benzenecarboximidamide
CID 74860196
N'-hydroxy-4-(trifluoromethylsulfanyl)benzenecarboximidamide
CID 148858221
2-ethylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153737
N'-hydroxy-2-thiophen-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153738
2-Ethylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153743
2-Propylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153744
N'-hydroxy-2-phenylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43331404
2-butan-2-ylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43331419
2-tert-butylsulfanyl-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43331420
N'-hydroxy-2-propylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43331421
N'-hydroxy-2-(2-methylpropylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331424

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide (CID 43617542) is N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1cc(C(F)(F)F)ccc1SCCO.
What is the InChIKey of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is DVKKIWFPFCCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)6-1-2-8(18-4-3-16)7(5-6)9(14)15-17/h1-2,5,16-17H,3-4H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 280.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43617542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).