2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone

C19H28ClN3O3S — CID 8690538

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O3S/c1-2-17-7-3-4-9-23(17)19(24)15-21-10-12-22(13-11-21)27(25,26)18-8-5-6-16(20)14-18/h5-6,8,14,17H,2-4,7,9-13,15H2,1H3/t17-/m1/s1
InChIKeySTGVZWUGZCOAGN-QGZVFWFLSA-N
MW413.97 g/mol
LogP2.44
Rot. Bonds5

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone (PubChem CID 8690538) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
PubChem CID8690538
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O3S/c1-2-17-7-3-4-9-23(17)19(24)15-21-10-12-22(13-11-21)27(25,26)18-8-5-6-16(20)14-18/h5-6,8,14,17H,2-4,7,9-13,15H2,1H3/t17-/m1/s1
InChIKeySTGVZWUGZCOAGN-QGZVFWFLSA-N
XLogP2.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55411671
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 8642621
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 8796602
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 8692981
ethyl 5-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55851148
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31345891
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55648630
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55354596
(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110614017
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone (CID 8690538) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone is CC[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
The InChIKey is STGVZWUGZCOAGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-2-17-7-3-4-9-23(17)19(24)15-21-10-12-22(13-11-21)27(25,26)18-8-5-6-16(20)14-18/h5-6,8,14,17H,2-4,7,9-13,15H2,1H3/t17-/m1/s1.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone has a molecular weight of 413.97 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 8690538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).