1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine

C18H20Cl2N2O2S — CID 113075244

IUPAC1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2S/c19-16-7-6-15(18(20)14-16)8-9-21-10-12-22(13-11-21)25(23,24)17-4-2-1-3-5-17/h1-7,14H,8-13H2
InChIKeyGLIDQAUWYUVXSA-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.54
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine

1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine (PubChem CID 113075244) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
PubChem CID113075244
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2S/c19-16-7-6-15(18(20)14-16)8-9-21-10-12-22(13-11-21)25(23,24)17-4-2-1-3-5-17/h1-7,14H,8-13H2
InChIKeyGLIDQAUWYUVXSA-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 4-chlorobenzoate
CID 15943858
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
1-[4-[2-(2,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 113075198
1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22207993
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine (CID 113075244) is 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(CCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine?
The InChIKey is GLIDQAUWYUVXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c19-16-7-6-15(18(20)14-16)8-9-21-10-12-22(13-11-21)25(23,24)17-4-2-1-3-5-17/h1-7,14H,8-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine?
1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine has a molecular weight of 399.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[2-(2,4-dichlorophenyl)ethyl]piperazine is sourced from PubChem (CID 113075244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).