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

C18H26ClN3O3S — CID 41349872

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCCC1
InChIInChI=1S/C18H26ClN3O3S/c19-16-5-7-17(8-6-16)21-10-12-22(13-11-21)26(24,25)14-9-20-18(23)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2,(H,20,23)
InChIKeyUNOUPUIZTVUPFT-UHFFFAOYSA-N
MW399.94 g/mol
LogP2.10
Rot. Bonds6

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

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide (PubChem CID 41349872) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
PubChem CID41349872
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCCC1
InChIInChI=1S/C18H26ClN3O3S/c19-16-5-7-17(8-6-16)21-10-12-22(13-11-21)26(24,25)14-9-20-18(23)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2,(H,20,23)
InChIKeyUNOUPUIZTVUPFT-UHFFFAOYSA-N
XLogP2.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]propanamide
CID 41349860
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349918
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
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-cyclopentylacetamide
CID 16801484
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide (CID 41349872) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCCC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide?
The InChIKey is UNOUPUIZTVUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3S/c19-16-5-7-17(8-6-16)21-10-12-22(13-11-21)26(24,25)14-9-20-18(23)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2,(H,20,23).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide has a molecular weight of 399.94 g/mol, XLogP of 2.10, 6 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]cyclopentanecarboxamide is sourced from PubChem (CID 41349872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).