3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C24H23N3O5S — CID 55758399

IUPAC3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)c1
InChIInChI=1S/C24H23N3O5S/c1-17(28)19-8-5-9-20(16-19)33(31,32)27-14-12-26(13-15-27)24(30)21-10-11-22(25-23(21)29)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3,(H,25,29)
InChIKeyQBUMFDPWJYJKKH-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.39
Rot. Bonds5

About 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 55758399) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID55758399
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)c1
InChIInChI=1S/C24H23N3O5S/c1-17(28)19-8-5-9-20(16-19)33(31,32)27-14-12-26(13-15-27)24(30)21-10-11-22(25-23(21)29)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3,(H,25,29)
InChIKeyQBUMFDPWJYJKKH-UHFFFAOYSA-N
XLogP2.39
TPSA107.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55755546
1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 55996847
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one
CID 55480050
2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 55762233
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 110818095
1-[4-(3-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797800
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
ethyl 6-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55633073
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
1-[4-[4-(3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26886601

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 55758399) is 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)c1.
What is the InChIKey of 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is QBUMFDPWJYJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-17(28)19-8-5-9-20(16-19)33(31,32)27-14-12-26(13-15-27)24(30)21-10-11-22(25-23(21)29)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3,(H,25,29).
What are the key properties of 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 465.53 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 55758399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).