1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

C19H21ClN2O5S — CID 2710681

IUPAC1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O5S/c1-26-17-4-2-3-5-18(17)27-14-19(23)21-10-12-22(13-11-21)28(24,25)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
InChIKeyACROIKWQTOUGLQ-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.26
Rot. Bonds6

About 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 2710681) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID2710681
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O5S/c1-26-17-4-2-3-5-18(17)27-14-19(23)21-10-12-22(13-11-21)28(24,25)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
InChIKeyACROIKWQTOUGLQ-UHFFFAOYSA-N
XLogP2.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 2710681) is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is ACROIKWQTOUGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-17-4-2-3-5-18(17)27-14-19(23)21-10-12-22(13-11-21)28(24,25)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 424.91 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 2710681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).