N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide

C13H16BrFN4O3S — CID 126593041

IUPACN'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
SMILESN/C(=N\c1cc(F)cc(Br)c1)C(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H16BrFN4O3S/c14-9-5-10(15)7-11(6-9)18-13(16)12(20)8-1-3-19(4-2-8)23(17,21)22/h5-8H,1-4H2,(H2,16,18)(H2,17,21,22)
InChIKeyMDMMVDBFWDPSJL-UHFFFAOYSA-N
MW407.27 g/mol
LogP1.06
Rot. Bonds4

About N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide

N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide (PubChem CID 126593041) has the molecular formula C13H16BrFN4O3S and a molecular weight of 407.27 g/mol. Its IUPAC name is N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
PubChem CID126593041
Molecular FormulaC13H16BrFN4O3S
Molecular Weight407.27 g/mol
Exact Mass406.01
IUPAC NameN'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide
SMILESN/C(=N\c1cc(F)cc(Br)c1)C(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H16BrFN4O3S/c14-9-5-10(15)7-11(6-9)18-13(16)12(20)8-1-3-19(4-2-8)23(17,21)22/h5-8H,1-4H2,(H2,16,18)(H2,17,21,22)
InChIKeyMDMMVDBFWDPSJL-UHFFFAOYSA-N
XLogP1.06
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 51.06
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'}

Analyze N'-(3-bromo-5-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
The IUPAC name of N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide (CID 126593041) is N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide.
What is the SMILES notation for N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
The canonical SMILES for N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide is N/C(=N\c1cc(F)cc(Br)c1)C(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
The InChIKey is MDMMVDBFWDPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN4O3S/c14-9-5-10(15)7-11(6-9)18-13(16)12(20)8-1-3-19(4-2-8)23(17,21)22/h5-8H,1-4H2,(H2,16,18)(H2,17,21,22).
What are the key properties of N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide?
N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide has a molecular weight of 407.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-fluorophenyl)-2-oxo-2-(1-sulfamoylpiperidin-4-yl)ethanimidamide is sourced from PubChem (CID 126593041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).