1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide

C12H15F2N3O3S — CID 77038290

IUPAC1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H15F2N3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-8(4-6-17)12(15)16-18/h1-2,7-8,18H,3-6H2,(H2,15,16)
InChIKeyPNRDHFYQPFYKCF-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.11
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide

1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77038290) has the molecular formula C12H15F2N3O3S and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77038290
Molecular FormulaC12H15F2N3O3S
Molecular Weight319.33 g/mol
Exact Mass319.08
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C12H15F2N3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-8(4-6-17)12(15)16-18/h1-2,7-8,18H,3-6H2,(H2,15,16)
InChIKeyPNRDHFYQPFYKCF-UHFFFAOYSA-N
XLogP1.11
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
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'}

Analyze 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide (CID 77038290) is 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is PNRDHFYQPFYKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-8(4-6-17)12(15)16-18/h1-2,7-8,18H,3-6H2,(H2,15,16).
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide?
1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 319.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77038290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).