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

C16H24ClN3O3S — CID 41349861

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
SMILESCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-2-3-16(21)18-8-13-24(22,23)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyUSTZZWMHXRRRON-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.71
Rot. Bonds7

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

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide (PubChem CID 41349861) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
PubChem CID41349861
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
SMILESCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-2-3-16(21)18-8-13-24(22,23)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyUSTZZWMHXRRRON-UHFFFAOYSA-N
XLogP1.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.71
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
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]cyclopentanecarboxamide
CID 41349872
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349918
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
CID 113076966
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide (CID 41349861) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide is CCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide?
The InChIKey is USTZZWMHXRRRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-2-3-16(21)18-8-13-24(22,23)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide has a molecular weight of 373.91 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide is sourced from PubChem (CID 41349861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).