1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine

C16H23ClN2O2S — CID 45369166

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H23ClN2O2S/c17-15-7-5-14(6-8-15)13-22(20,21)19-11-9-18(10-12-19)16-3-1-2-4-16/h5-8,16H,1-4,9-13H2
InChIKeyZHIRASFAQWROCX-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.73
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine

1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine (PubChem CID 45369166) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine
PubChem CID45369166
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H23ClN2O2S/c17-15-7-5-14(6-8-15)13-22(20,21)19-11-9-18(10-12-19)16-3-1-2-4-16/h5-8,16H,1-4,9-13H2
InChIKeyZHIRASFAQWROCX-UHFFFAOYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine (CID 45369166) is 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine is O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine?
The InChIKey is ZHIRASFAQWROCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c17-15-7-5-14(6-8-15)13-22(20,21)19-11-9-18(10-12-19)16-3-1-2-4-16/h5-8,16H,1-4,9-13H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine?
1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine has a molecular weight of 342.89 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 45369166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).