N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide

C13H17IN4O3S — CID 126593046

IUPACN'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
SMILESN/C(=N\c1cccc(I)c1)C(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H17IN4O3S/c14-10-2-1-3-11(8-10)17-13(15)12(19)9-4-6-18(7-5-9)22(16,20)21/h1-3,8-9H,4-7H2,(H2,15,17)(H2,16,20,21)
InChIKeyGDIZBJWPBDOJBW-UHFFFAOYSA-N
MW436.28 g/mol
LogP0.76
Rot. Bonds4

About N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide

N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide (PubChem CID 126593046) has the molecular formula C13H17IN4O3S and a molecular weight of 436.28 g/mol. Its IUPAC name is N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
PubChem CID126593046
Molecular FormulaC13H17IN4O3S
Molecular Weight436.28 g/mol
Exact Mass436.01
IUPAC NameN'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
SMILESN/C(=N\c1cccc(I)c1)C(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H17IN4O3S/c14-10-2-1-3-11(8-10)17-13(15)12(19)9-4-6-18(7-5-9)22(16,20)21/h1-3,8-9H,4-7H2,(H2,15,17)(H2,16,20,21)
InChIKeyGDIZBJWPBDOJBW-UHFFFAOYSA-N
XLogP0.76
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 50.76
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': 'iodine', 'substructure': 'N/A'}

Analyze N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide 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'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
CID 126593041
N'-(3-bromo-4-fluorophenyl)-2-oxo-2-(1-sulfamoylazepan-4-yl)ethanimidamide
CID 126592834
N'-(3-bromo-4-fluorophenyl)-2-oxo-2-(1-sulfamoylpyrrolidin-3-yl)ethanimidamide
CID 126593045
N'-(3-chloro-5-ethenylphenyl)-2-[1-(methylsulfamoyl)piperidin-4-yl]-2-oxoethanimidamide
CID 126593150
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
1-(diaminomethylidene)-2-(3-piperidin-1-ylsulfonylphenyl)guanidine
CID 168602495
N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide
CID 63178909
1-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 67036773
4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-(3-cyanophenyl)piperidine-1-carboxamide
CID 126592801
2-chloro-N'-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanimidamide
CID 169368357
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[1-(phenylsulfamoyl)piperidin-4-yl]ethanimidamide
CID 162650443
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985

Frequently Asked Questions

What is the IUPAC name of N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
The IUPAC name of N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide (CID 126593046) is N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide is N/C(=N\c1cccc(I)c1)C(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
The InChIKey is GDIZBJWPBDOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4O3S/c14-10-2-1-3-11(8-10)17-13(15)12(19)9-4-6-18(7-5-9)22(16,20)21/h1-3,8-9H,4-7H2,(H2,15,17)(H2,16,20,21).
What are the key properties of N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide has a molecular weight of 436.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-iodophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 126593046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).