1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine

C16H19ClN2O3S2 — CID 8745125

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN2O3S2/c17-14-3-5-15(6-4-14)22-12-11-18-7-9-19(10-8-18)24(20,21)16-2-1-13-23-16/h1-6,13H,7-12H2
InChIKeyUIEWWYZJIFDVLQ-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine

1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 8745125) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID8745125
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN2O3S2/c17-14-3-5-15(6-4-14)22-12-11-18-7-9-19(10-8-18)24(20,21)16-2-1-13-23-16/h1-6,13H,7-12H2
InChIKeyUIEWWYZJIFDVLQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine (CID 8745125) is 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is UIEWWYZJIFDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c17-14-3-5-15(6-4-14)22-12-11-18-7-9-19(10-8-18)24(20,21)16-2-1-13-23-16/h1-6,13H,7-12H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 386.93 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 8745125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).