1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine

C16H16Cl2N2O2S — CID 985376

IUPAC1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N2O2S/c17-13-4-6-16(7-5-13)23(21,22)20-10-8-19(9-11-20)15-3-1-2-14(18)12-15/h1-7,12H,8-11H2
InChIKeyZQPCZIANNZTUKO-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.50
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 985376) has the molecular formula C16H16Cl2N2O2S and a molecular weight of 371.29 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID985376
Molecular FormulaC16H16Cl2N2O2S
Molecular Weight371.29 g/mol
Exact Mass370.03
IUPAC Name1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N2O2S/c17-13-4-6-16(7-5-13)23(21,22)20-10-8-19(9-11-20)15-3-1-2-14(18)12-15/h1-7,12H,8-11H2
InChIKeyZQPCZIANNZTUKO-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
1-(4-chlorophenyl)-4-[3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]piperazine
CID 168283786
1-(4-chlorophenyl)-4-[3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]piperazine
CID 168287666
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
4-Chloro-N-isopropyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 49864687
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide
CID 652727

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine (CID 985376) is 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is ZQPCZIANNZTUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S/c17-13-4-6-16(7-5-13)23(21,22)20-10-8-19(9-11-20)15-3-1-2-14(18)12-15/h1-7,12H,8-11H2.
What are the key properties of 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 371.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 985376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).