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

C15H22ClN3O3S — CID 41349860

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-2-15(20)17-7-12-23(21,22)19-10-8-18(9-11-19)14-5-3-13(16)4-6-14/h3-6H,2,7-12H2,1H3,(H,17,20)
InChIKeyFALXQBDYDCLBQA-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.32
Rot. Bonds6

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

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide (PubChem CID 41349860) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
PubChem CID41349860
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-2-15(20)17-7-12-23(21,22)19-10-8-18(9-11-19)14-5-3-13(16)4-6-14/h3-6H,2,7-12H2,1H3,(H,17,20)
InChIKeyFALXQBDYDCLBQA-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]butanamide
CID 41349861
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
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
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide
CID 22578930

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide (CID 41349860) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide is CCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
The InChIKey is FALXQBDYDCLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-2-15(20)17-7-12-23(21,22)19-10-8-18(9-11-19)14-5-3-13(16)4-6-14/h3-6H,2,7-12H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide?
N-[2-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide is sourced from PubChem (CID 41349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).