3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one

C21H22Cl2N4O4S — CID 141265371

IUPAC3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one
SMILESCS(=O)(=O)c1cc(C2CCNC2=O)ccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H22Cl2N4O4S/c1-32(30,31)18-10-13(15-4-5-24-20(15)28)2-3-16(18)21(29)27-8-6-26(7-9-27)19-17(23)11-14(22)12-25-19/h2-3,10-12,15H,4-9H2,1H3,(H,24,28)
InChIKeyWTILDVQRCDXFKX-UHFFFAOYSA-N
MW497.40 g/mol
LogP2.36
Rot. Bonds4

About 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one

3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one (PubChem CID 141265371) has the molecular formula C21H22Cl2N4O4S and a molecular weight of 497.40 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one
PubChem CID141265371
Molecular FormulaC21H22Cl2N4O4S
Molecular Weight497.40 g/mol
Exact Mass496.07
IUPAC Name3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one
SMILESCS(=O)(=O)c1cc(C2CCNC2=O)ccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H22Cl2N4O4S/c1-32(30,31)18-10-13(15-4-5-24-20(15)28)2-3-16(18)21(29)27-8-6-26(7-9-27)19-17(23)11-14(22)12-25-19/h2-3,10-12,15H,4-9H2,1H3,(H,24,28)
InChIKeyWTILDVQRCDXFKX-UHFFFAOYSA-N
XLogP2.36
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862
(3R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370680
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-(methoxymethyl)pyrrolidin-2-one
CID 141370717
3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141265351
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one (CID 141265371) is 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one is CS(=O)(=O)c1cc(C2CCNC2=O)ccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one?
The InChIKey is WTILDVQRCDXFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O4S/c1-32(30,31)18-10-13(15-4-5-24-20(15)28)2-3-16(18)21(29)27-8-6-26(7-9-27)19-17(23)11-14(22)12-25-19/h2-3,10-12,15H,4-9H2,1H3,(H,24,28).
What are the key properties of 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one?
3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one has a molecular weight of 497.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 141265371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).