4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione

C18H17ClN2O4S — CID 1069194

IUPAC4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C18H17ClN2O4S/c19-15-6-8-16(9-7-15)26(24,25)20-12-17(22)21(18(23)13-20)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyKUGAYKPOMQPMBT-UHFFFAOYSA-N
MW392.86 g/mol
LogP1.94
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione

4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 1069194) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione
PubChem CID1069194
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C18H17ClN2O4S/c19-15-6-8-16(9-7-15)26(24,25)20-12-17(22)21(18(23)13-20)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyKUGAYKPOMQPMBT-UHFFFAOYSA-N
XLogP1.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione (CID 1069194) is 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione is O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione?
The InChIKey is KUGAYKPOMQPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-15-6-8-16(9-7-15)26(24,25)20-12-17(22)21(18(23)13-20)11-10-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione?
4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 392.86 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 1069194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).