1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine

C14H21ClN2O2S — CID 64978296

IUPAC1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)c2cccc(Cl)c2)C(CC)CN1
InChIInChI=1S/C14H21ClN2O2S/c1-3-12-10-17(13(4-2)9-16-12)20(18,19)14-7-5-6-11(15)8-14/h5-8,12-13,16H,3-4,9-10H2,1-2H3
InChIKeyZMOKIYJSXSRZIT-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine

1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine (PubChem CID 64978296) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
PubChem CID64978296
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)c2cccc(Cl)c2)C(CC)CN1
InChIInChI=1S/C14H21ClN2O2S/c1-3-12-10-17(13(4-2)9-16-12)20(18,19)14-7-5-6-11(15)8-14/h5-8,12-13,16H,3-4,9-10H2,1-2H3
InChIKeyZMOKIYJSXSRZIT-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine (CID 64978296) is 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine is CCC1CN(S(=O)(=O)c2cccc(Cl)c2)C(CC)CN1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine?
The InChIKey is ZMOKIYJSXSRZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-12-10-17(13(4-2)9-16-12)20(18,19)14-7-5-6-11(15)8-14/h5-8,12-13,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine?
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine has a molecular weight of 316.85 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine is sourced from PubChem (CID 64978296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).