(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C22H24ClN3O4S — CID 42582568

IUPAC(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1
InChIInChI=1S/C22H24ClN3O4S/c1-16-5-7-20(8-6-16)31(29,30)25-11-9-24(10-12-25)22(28)17-13-21(27)26(15-17)19-4-2-3-18(23)14-19/h2-8,14,17H,9-13,15H2,1H3/t17-/m1/s1
InChIKeyULFKLTSXRQSLSI-QGZVFWFLSA-N
MW461.97 g/mol
LogP2.53
Rot. Bonds4

About (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42582568) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID42582568
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1
InChIInChI=1S/C22H24ClN3O4S/c1-16-5-7-20(8-6-16)31(29,30)25-11-9-24(10-12-25)22(28)17-13-21(27)26(15-17)19-4-2-3-18(23)14-19/h2-8,14,17H,9-13,15H2,1H3/t17-/m1/s1
InChIKeyULFKLTSXRQSLSI-QGZVFWFLSA-N
XLogP2.53
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 43058688
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 42946507
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 43889761
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585961
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346284

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 42582568) is (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ULFKLTSXRQSLSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-16-5-7-20(8-6-16)31(29,30)25-11-9-24(10-12-25)22(28)17-13-21(27)26(15-17)19-4-2-3-18(23)14-19/h2-8,14,17H,9-13,15H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 461.97 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42582568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).