1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine

C16H15Cl2FN2O2S — CID 2280565

IUPAC1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15Cl2FN2O2S/c17-12-1-6-16(15(18)11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2
InChIKeyHLUIJULEPMSLFY-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.64
Rot. Bonds3

About 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 2280565) has the molecular formula C16H15Cl2FN2O2S and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID2280565
Molecular FormulaC16H15Cl2FN2O2S
Molecular Weight389.28 g/mol
Exact Mass388.02
IUPAC Name1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15Cl2FN2O2S/c17-12-1-6-16(15(18)11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2
InChIKeyHLUIJULEPMSLFY-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 3262769
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 66083632
propyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000034

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 2280565) is 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is HLUIJULEPMSLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O2S/c17-12-1-6-16(15(18)11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 389.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 2280565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).