4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C16H27ClN4O4S — CID 119446751

IUPAC4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C16H26N4O4S.ClH/c1-24-13-9-19-25(22,23)15-4-2-14(3-5-15)16(21)18-8-12-20-10-6-17-7-11-20;/h2-5,17,19H,6-13H2,1H3,(H,18,21);1H
InChIKeyTZKMZYQNKWGPLD-UHFFFAOYSA-N
MW406.94 g/mol
LogP-0.33
Rot. Bonds9

About 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119446751) has the molecular formula C16H27ClN4O4S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119446751
Molecular FormulaC16H27ClN4O4S
Molecular Weight406.94 g/mol
Exact Mass406.14
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C16H26N4O4S.ClH/c1-24-13-9-19-25(22,23)15-4-2-14(3-5-15)16(21)18-8-12-20-10-6-17-7-11-20;/h2-5,17,19H,6-13H2,1H3,(H,18,21);1H
InChIKeyTZKMZYQNKWGPLD-UHFFFAOYSA-N
XLogP-0.33
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119448151
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55634096
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119446751) is 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is COCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is TZKMZYQNKWGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S.ClH/c1-24-13-9-19-25(22,23)15-4-2-14(3-5-15)16(21)18-8-12-20-10-6-17-7-11-20;/h2-5,17,19H,6-13H2,1H3,(H,18,21);1H.
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of -0.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119446751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).