1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one

C23H24ClN3O5S — CID 55480050

IUPAC1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c1
InChIInChI=1S/C23H24ClN3O5S/c1-16(28)17-4-2-5-19(14-17)33(31,32)26-12-10-25(11-13-26)23(30)20-8-7-18(24)15-21(20)27-9-3-6-22(27)29/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3
InChIKeySLCOUJMNIRAXBP-UHFFFAOYSA-N
MW489.98 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one

1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one (PubChem CID 55480050) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one
PubChem CID55480050
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC Name1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c1
InChIInChI=1S/C23H24ClN3O5S/c1-16(28)17-4-2-5-19(14-17)33(31,32)26-12-10-25(11-13-26)23(30)20-8-7-18(24)15-21(20)27-9-3-6-22(27)29/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3
InChIKeySLCOUJMNIRAXBP-UHFFFAOYSA-N
XLogP2.82
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 30739774
1-[4-(3-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797800
3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55758399
3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
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[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9326993
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
1-[3-[4-[2-(2-methoxyethoxy)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
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CID 19257247
1-[4-[4-(3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26886601
(4-chloro-2-nitrophenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27562395
7-[4-(2-chlorobenzoyl)piperazin-1-yl]sulfonyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one (CID 55480050) is 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one is CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c1.
What is the InChIKey of 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one?
The InChIKey is SLCOUJMNIRAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-16(28)17-4-2-5-19(14-17)33(31,32)26-12-10-25(11-13-26)23(30)20-8-7-18(24)15-21(20)27-9-3-6-22(27)29/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3.
What are the key properties of 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one?
1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one has a molecular weight of 489.98 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 55480050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).