2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide

C14H19Cl2N3O3S — CID 41349884

IUPAC2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(CCl)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c15-11-14(20)17-5-10-23(21,22)19-8-6-18(7-9-19)13-3-1-12(16)2-4-13/h1-4H,5-11H2,(H,17,20)
InChIKeyXOVRISWFUKQXSR-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.15
Rot. Bonds6

About 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide

2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 41349884) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID41349884
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC Name2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(CCl)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c15-11-14(20)17-5-10-23(21,22)19-8-6-18(7-9-19)13-3-1-12(16)2-4-13/h1-4H,5-11H2,(H,17,20)
InChIKeyXOVRISWFUKQXSR-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349918
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-nitrobenzamide
CID 41349933
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
CID 16801484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 41349884) is 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide is O=C(CCl)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is XOVRISWFUKQXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S/c15-11-14(20)17-5-10-23(21,22)19-8-6-18(7-9-19)13-3-1-12(16)2-4-13/h1-4H,5-11H2,(H,17,20).
What are the key properties of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 380.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 41349884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).