[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate

C17H21ClN2O5S — CID 7717282

IUPAC[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCC1
InChIInChI=1S/C17H21ClN2O5S/c18-14-4-6-15(7-5-14)26(23,24)20-10-8-19(9-11-20)16(21)12-25-17(22)13-2-1-3-13/h4-7,13H,1-3,8-12H2
InChIKeyFUGJBRHYVVNIQF-UHFFFAOYSA-N
MW400.88 g/mol
LogP1.52
Rot. Bonds5

About [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate

[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717282) has the molecular formula C17H21ClN2O5S and a molecular weight of 400.88 g/mol. Its IUPAC name is [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717282
Molecular FormulaC17H21ClN2O5S
Molecular Weight400.88 g/mol
Exact Mass400.09
IUPAC Name[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCC1
InChIInChI=1S/C17H21ClN2O5S/c18-14-4-6-15(7-5-14)26(23,24)20-10-8-19(9-11-20)16(21)12-25-17(22)13-2-1-3-13/h4-7,13H,1-3,8-12H2
InChIKeyFUGJBRHYVVNIQF-UHFFFAOYSA-N
XLogP1.52
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate (CID 7717282) is [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate is O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCC1.
What is the InChIKey of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is FUGJBRHYVVNIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5S/c18-14-4-6-15(7-5-14)26(23,24)20-10-8-19(9-11-20)16(21)12-25-17(22)13-2-1-3-13/h4-7,13H,1-3,8-12H2.
What are the key properties of [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 400.88 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).