4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C20H23N3O3S — CID 2974169

IUPAC4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CN1
InChIInChI=1S/C20H23N3O3S/c24-20-14-17(15-21-20)16-6-8-19(9-7-16)27(25,26)23-12-10-22(11-13-23)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,21,24)
InChIKeyJIQASZPZHZOJTK-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.80
Rot. Bonds4

About 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one

4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 2974169) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID2974169
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CN1
InChIInChI=1S/C20H23N3O3S/c24-20-14-17(15-21-20)16-6-8-19(9-7-16)27(25,26)23-12-10-22(11-13-23)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,21,24)
InChIKeyJIQASZPZHZOJTK-UHFFFAOYSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
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N-[4-(piperidin-1-ylsulfonyl)phenyl]cyclohexanecarboxamide
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N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
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N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
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CID 16318701

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 2974169) is 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one is O=C1CC(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CN1.
What is the InChIKey of 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is JIQASZPZHZOJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20-14-17(15-21-20)16-6-8-19(9-7-16)27(25,26)23-12-10-22(11-13-23)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,21,24).
What are the key properties of 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 385.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 2974169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).