2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide

C15H22ClN3O3S — CID 44961224

IUPAC2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
SMILESCC(Cl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-13(16)15(20)17-7-12-23(21,22)19-10-8-18(9-11-19)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20)
InChIKeyFEEXAABHKOVVHD-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.88
Rot. Bonds6

About 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide

2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide (PubChem CID 44961224) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
PubChem CID44961224
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
SMILESCC(Cl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-13(16)15(20)17-7-12-23(21,22)19-10-8-18(9-11-19)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20)
InChIKeyFEEXAABHKOVVHD-UHFFFAOYSA-N
XLogP0.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.88
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-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
CID 41349699
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
CID 41349450
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide (CID 44961224) is 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide is CC(Cl)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide?
The InChIKey is FEEXAABHKOVVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-13(16)15(20)17-7-12-23(21,22)19-10-8-18(9-11-19)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide?
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide has a molecular weight of 359.88 g/mol, XLogP of 0.88, 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-phenylpiperazin-1-yl)sulfonylethyl]propanamide is sourced from PubChem (CID 44961224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).