4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide

C17H26ClN5O4S — CID 55498911

IUPAC4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClN5O4S/c1-3-22(4-2)28(26,27)23-11-9-21(10-12-23)13-16(24)19-20-17(25)14-7-5-6-8-15(14)18/h5-8H,3-4,9-13H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyVHWROSHWFAZOHG-UHFFFAOYSA-N
MW431.95 g/mol
LogP0.31
Rot. Bonds7

About 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide

4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 55498911) has the molecular formula C17H26ClN5O4S and a molecular weight of 431.95 g/mol. Its IUPAC name is 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
PubChem CID55498911
Molecular FormulaC17H26ClN5O4S
Molecular Weight431.95 g/mol
Exact Mass431.14
IUPAC Name4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClN5O4S/c1-3-22(4-2)28(26,27)23-11-9-21(10-12-23)13-16(24)19-20-17(25)14-7-5-6-8-15(14)18/h5-8H,3-4,9-13H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyVHWROSHWFAZOHG-UHFFFAOYSA-N
XLogP0.31
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylphenyl)acetamide
CID 55498988
N-(3-chlorophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17426375
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 17428462
N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
CID 26596996
2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 47017445
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-iodophenyl)acetamide
CID 16597807
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 16597782
N-(4-tert-butylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597788
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30993776

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide (CID 55498911) is 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is VHWROSHWFAZOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O4S/c1-3-22(4-2)28(26,27)23-11-9-21(10-12-23)13-16(24)19-20-17(25)14-7-5-6-8-15(14)18/h5-8H,3-4,9-13H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide?
4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 431.95 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 55498911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).