5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide

C11H14F2N2OS — CID 109374829

IUPAC5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
SMILESN/C(CCCCSc1ccc(F)cc1F)=N/O
InChIInChI=1S/C11H14F2N2OS/c12-8-4-5-10(9(13)7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15)
InChIKeyYXFUWZFACYOCPR-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.97
Rot. Bonds6

About 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide

5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide (PubChem CID 109374829) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
PubChem CID109374829
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
SMILESN/C(CCCCSc1ccc(F)cc1F)=N/O
InChIInChI=1S/C11H14F2N2OS/c12-8-4-5-10(9(13)7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15)
InChIKeyYXFUWZFACYOCPR-UHFFFAOYSA-N
XLogP2.97
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
3-(2,4-difluorophenyl)sulfanylpropanimidamide
CID 43345486
3-(2-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 43187694
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
3-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 76883620
N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide
CID 54966132
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
N-(5-amino-5-hydroxyiminopentyl)-2,4-difluorobenzamide
CID 77036797
2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371317
5-(3,4-dimethylphenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374811

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide (CID 109374829) is 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide is N/C(CCCCSc1ccc(F)cc1F)=N/O.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide?
The InChIKey is YXFUWZFACYOCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c12-8-4-5-10(9(13)7-8)17-6-2-1-3-11(14)15-16/h4-5,7,16H,1-3,6H2,(H2,14,15).
What are the key properties of 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide?
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide has a molecular weight of 260.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide is sourced from PubChem (CID 109374829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).