3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide

C17H25Cl2N3O3S — CID 41349722

IUPAC3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H25Cl2N3O3S/c1-17(2,13-18)16(23)20-7-12-26(24,25)22-10-8-21(9-11-22)15-6-4-3-5-14(15)19/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeyLZFIKPYORODIOK-UHFFFAOYSA-N
MW422.38 g/mol
LogP2.17
Rot. Bonds7

About 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide

3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide (PubChem CID 41349722) has the molecular formula C17H25Cl2N3O3S and a molecular weight of 422.38 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
PubChem CID41349722
Molecular FormulaC17H25Cl2N3O3S
Molecular Weight422.38 g/mol
Exact Mass421.10
IUPAC Name3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H25Cl2N3O3S/c1-17(2,13-18)16(23)20-7-12-26(24,25)22-10-8-21(9-11-22)15-6-4-3-5-14(15)19/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeyLZFIKPYORODIOK-UHFFFAOYSA-N
XLogP2.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide 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-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
CID 41349699
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
CID 41349770
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
CID 41349840
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 18565403
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide (CID 41349722) is 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
The InChIKey is LZFIKPYORODIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O3S/c1-17(2,13-18)16(23)20-7-12-26(24,25)22-10-8-21(9-11-22)15-6-4-3-5-14(15)19/h3-6H,7-13H2,1-2H3,(H,20,23).
What are the key properties of 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide has a molecular weight of 422.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 41349722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).