N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C15H23F2IN4O2S — CID 120727814

IUPACN'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2F)CC1.I
InChIInChI=1S/C15H22F2N4O2S.HI/c1-11-4-8-21(9-5-11)15(18)19-6-7-20-24(22,23)14-3-2-12(16)10-13(14)17;/h2-3,10-11,20H,4-9H2,1H3,(H2,18,19);1H
InChIKeyJXQSPTCQIWYIKA-UHFFFAOYSA-N
MW488.34 g/mol
LogP1.91
Rot. Bonds5

About N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 120727814) has the molecular formula C15H23F2IN4O2S and a molecular weight of 488.34 g/mol. Its IUPAC name is N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID120727814
Molecular FormulaC15H23F2IN4O2S
Molecular Weight488.34 g/mol
Exact Mass488.06
IUPAC NameN'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2F)CC1.I
InChIInChI=1S/C15H22F2N4O2S.HI/c1-11-4-8-21(9-5-11)15(18)19-6-7-20-24(22,23)14-3-2-12(16)10-13(14)17;/h2-3,10-11,20H,4-9H2,1H3,(H2,18,19);1H
InChIKeyJXQSPTCQIWYIKA-UHFFFAOYSA-N
XLogP1.91
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.34
LogP ≤ 51.91
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': 'iodine', 'substructure': 'N/A'}

Analyze N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide 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

N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 120727815
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
N'-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]ethyl]azepane-1-carboximidamide
CID 120727925
4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920557
N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120973878
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
1-[2-[(2,4-difluorophenyl)sulfonylamino]ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013280
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
4-(4-fluorophenyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide
CID 111043812
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 120727814) is N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCNS(=O)(=O)c2ccc(F)cc2F)CC1.I.
What is the InChIKey of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is JXQSPTCQIWYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2S.HI/c1-11-4-8-21(9-5-11)15(18)19-6-7-20-24(22,23)14-3-2-12(16)10-13(14)17;/h2-3,10-11,20H,4-9H2,1H3,(H2,18,19);1H.
What are the key properties of N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 488.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 120727814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).