1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine

C15H21ClN2O2S — CID 764837

IUPAC1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H21ClN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2
InChIKeyTUWUVRPEFQZLAD-UHFFFAOYSA-N
MW328.86 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine

1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine (PubChem CID 764837) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine
PubChem CID764837
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H21ClN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2
InChIKeyTUWUVRPEFQZLAD-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine (CID 764837) is 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine?
The InChIKey is TUWUVRPEFQZLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-13-5-7-15(8-6-13)21(19,20)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine?
1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine has a molecular weight of 328.86 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-cyclopentylpiperazine is sourced from PubChem (CID 764837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).