2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C21H24ClN3O3S — CID 31345891

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C21H24ClN3O3S/c22-18-7-3-8-19(15-18)29(27,28)24-13-11-23(12-14-24)16-21(26)25-10-4-6-17-5-1-2-9-20(17)25/h1-3,5,7-9,15H,4,6,10-14,16H2
InChIKeyHMOXWKDEDIUCBZ-UHFFFAOYSA-N
MW433.96 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 31345891) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID31345891
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C21H24ClN3O3S/c22-18-7-3-8-19(15-18)29(27,28)24-13-11-23(12-14-24)16-21(26)25-10-4-6-17-5-1-2-9-20(17)25/h1-3,5,7-9,15H,4,6,10-14,16H2
InChIKeyHMOXWKDEDIUCBZ-UHFFFAOYSA-N
XLogP2.63
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 39010181
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824648
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 8690538
1-(2,3-dihydroindol-1-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 4818752
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 30962950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 31345891) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCc2ccccc21.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is HMOXWKDEDIUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c22-18-7-3-8-19(15-18)29(27,28)24-13-11-23(12-14-24)16-21(26)25-10-4-6-17-5-1-2-9-20(17)25/h1-3,5,7-9,15H,4,6,10-14,16H2.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 433.96 g/mol, XLogP of 2.63, 4 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-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 31345891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).