N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide

C15H22ClN3O3S — CID 18565368

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-2-15(20)17-6-11-23(21,22)19-9-7-18(8-10-19)14-5-3-4-13(16)12-14/h3-5,12H,2,6-11H2,1H3,(H,17,20)
InChIKeyDBGYFIHGMBHUJP-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide (PubChem CID 18565368) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
PubChem CID18565368
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-2-15(20)17-6-11-23(21,22)19-9-7-18(8-10-19)14-5-3-4-13(16)12-14/h3-5,12H,2,6-11H2,1H3,(H,17,20)
InChIKeyDBGYFIHGMBHUJP-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
CID 16801484
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-methylphenoxy)acetamide
CID 41349328
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(2-methoxyphenoxy)acetamide
CID 22578807
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide (CID 18565368) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide is CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The InChIKey is DBGYFIHGMBHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-2-15(20)17-6-11-23(21,22)19-9-7-18(8-10-19)14-5-3-4-13(16)12-14/h3-5,12H,2,6-11H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide has a molecular weight of 359.88 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide is sourced from PubChem (CID 18565368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).