2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

C19H20Cl2N2O3S — CID 17225044

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O3S/c20-16-6-4-15(5-7-16)13-27(25,26)14-19(24)23-10-8-22(9-11-23)18-3-1-2-17(21)12-18/h1-7,12H,8-11,13-14H2
InChIKeyTYGIOZNMXNMBOB-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.26
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 17225044) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID17225044
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O3S/c20-16-6-4-15(5-7-16)13-27(25,26)14-19(24)23-10-8-22(9-11-23)18-3-1-2-17(21)12-18/h1-7,12H,8-11,13-14H2
InChIKeyTYGIOZNMXNMBOB-UHFFFAOYSA-N
XLogP3.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 43958461
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 55345654
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 136511944
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 26696213
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (CID 17225044) is 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is TYGIOZNMXNMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-16-6-4-15(5-7-16)13-27(25,26)14-19(24)23-10-8-22(9-11-23)18-3-1-2-17(21)12-18/h1-7,12H,8-11,13-14H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 427.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17225044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).