(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone

C16H20Cl2N2O3S — CID 110363728

IUPAC(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-12-5-6-14(15(18)11-12)16(21)19-7-9-20(10-8-19)24(22,23)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2
InChIKeyGHYKLXLXXJACBO-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.02
Rot. Bonds3

About (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone

(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone (PubChem CID 110363728) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
PubChem CID110363728
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC Name(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-12-5-6-14(15(18)11-12)16(21)19-7-9-20(10-8-19)24(22,23)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2
InChIKeyGHYKLXLXXJACBO-UHFFFAOYSA-N
XLogP3.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone (CID 110363728) is (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
The InChIKey is GHYKLXLXXJACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c17-12-5-6-14(15(18)11-12)16(21)19-7-9-20(10-8-19)24(22,23)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2.
What are the key properties of (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone?
(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone has a molecular weight of 391.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 110363728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).