1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine

C18H20ClFN2O2S — CID 113074605

IUPAC1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClFN2O2S/c19-16-3-1-15(2-4-16)9-10-21-11-13-22(14-12-21)25(23,24)18-7-5-17(20)6-8-18/h1-8H,9-14H2
InChIKeyMTRITVBBXCQLPR-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine

1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 113074605) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID113074605
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClFN2O2S/c19-16-3-1-15(2-4-16)9-10-21-11-13-22(14-12-21)25(23,24)18-7-5-17(20)6-8-18/h1-8H,9-14H2
InChIKeyMTRITVBBXCQLPR-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325
3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42725148
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 134018579
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazin-4-ium chloride
CID 18531569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine (CID 113074605) is 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is MTRITVBBXCQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c19-16-3-1-15(2-4-16)9-10-21-11-13-22(14-12-21)25(23,24)18-7-5-17(20)6-8-18/h1-8H,9-14H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 382.89 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 113074605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).