1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine

C17H21ClN2O4S2 — CID 4882065

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SMILESCOc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C17H21ClN2O4S2/c1-23-14-2-4-15(5-3-14)24-13-12-19-8-10-20(11-9-19)26(21,22)17-7-6-16(18)25-17/h2-7H,8-13H2,1H3
InChIKeyYUJRTGXESLYAGQ-UHFFFAOYSA-N
MW416.95 g/mol
LogP2.80
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine (PubChem CID 4882065) has the molecular formula C17H21ClN2O4S2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
PubChem CID4882065
Molecular FormulaC17H21ClN2O4S2
Molecular Weight416.95 g/mol
Exact Mass416.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SMILESCOc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C17H21ClN2O4S2/c1-23-14-2-4-15(5-3-14)24-13-12-19-8-10-20(11-9-19)26(21,22)17-7-6-16(18)25-17/h2-7H,8-13H2,1H3
InChIKeyYUJRTGXESLYAGQ-UHFFFAOYSA-N
XLogP2.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine (CID 4882065) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine is COc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
The InChIKey is YUJRTGXESLYAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S2/c1-23-14-2-4-15(5-3-14)24-13-12-19-8-10-20(11-9-19)26(21,22)17-7-6-16(18)25-17/h2-7H,8-13H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine has a molecular weight of 416.95 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine is sourced from PubChem (CID 4882065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).