4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide

C13H21ClIN5O2S — CID 111046626

IUPAC4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H20ClN5O2S.HI/c14-11-1-3-12(4-2-11)18-6-8-19(9-7-18)13(15)17-5-10-22(16,20)21;/h1-4H,5-10H2,(H2,15,17)(H2,16,20,21);1H
InChIKeySZAWEENJTQNWRE-UHFFFAOYSA-N
MW473.77 g/mol
LogP0.68
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111046626) has the molecular formula C13H21ClIN5O2S and a molecular weight of 473.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111046626
Molecular FormulaC13H21ClIN5O2S
Molecular Weight473.77 g/mol
Exact Mass473.01
IUPAC Name4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCS(N)(=O)=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H20ClN5O2S.HI/c14-11-1-3-12(4-2-11)18-6-8-19(9-7-18)13(15)17-5-10-22(16,20)21;/h1-4H,5-10H2,(H2,15,17)(H2,16,20,21);1H
InChIKeySZAWEENJTQNWRE-UHFFFAOYSA-N
XLogP0.68
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.77
LogP ≤ 50.68
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'}

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Related Compounds

4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
4-(4-chlorophenyl)-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111023124
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
4-(4-chlorophenyl)-N'-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111046455
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111093183
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
N'-(2-benzylsulfinylethyl)-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 111807772

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide (CID 111046626) is 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCS(N)(=O)=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is SZAWEENJTQNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2S.HI/c14-11-1-3-12(4-2-11)18-6-8-19(9-7-18)13(15)17-5-10-22(16,20)21;/h1-4H,5-10H2,(H2,15,17)(H2,16,20,21);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 473.77 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111046626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).