1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone

C19H20Cl2N2O3S — CID 56513255

IUPAC1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-14(24)16-3-5-17(6-4-16)22-8-10-23(11-9-22)27(25,26)13-15-2-7-18(20)19(21)12-15/h2-7,12H,8-11,13H2,1H3
InChIKeyLFZDYRAIBQTTJP-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.85
Rot. Bonds5

About 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 56513255) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID56513255
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-14(24)16-3-5-17(6-4-16)22-8-10-23(11-9-22)27(25,26)13-15-2-7-18(20)19(21)12-15/h2-7,12H,8-11,13H2,1H3
InChIKeyLFZDYRAIBQTTJP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1379354
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylsulfonylpiperazine
CID 56581987
1-[(3,4-dichlorophenyl)methylsulfonyl]piperazine
CID 119961725
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56513256
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine
CID 119978340
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 99935790
4-(4-acetylphenyl)-N,N-dipropylpiperazine-1-sulfonamide
CID 55627442
1-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56581958
1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
CID 168512260
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46778189

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone (CID 56513255) is 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is LFZDYRAIBQTTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-14(24)16-3-5-17(6-4-16)22-8-10-23(11-9-22)27(25,26)13-15-2-7-18(20)19(21)12-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 427.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 56513255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).