1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole

C15H18Cl2N2O2S — CID 75438945

IUPAC1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C15H18Cl2N2O2S/c16-13-4-3-12(15(17)9-13)11-22(20,21)19-8-5-14(10-19)18-6-1-2-7-18/h1-4,9,14H,5-8,10-11H2
InChIKeyFGTJDXOSKWJVHC-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.77
Rot. Bonds4

About 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole

1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole (PubChem CID 75438945) has the molecular formula C15H18Cl2N2O2S and a molecular weight of 361.29 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole
PubChem CID75438945
Molecular FormulaC15H18Cl2N2O2S
Molecular Weight361.29 g/mol
Exact Mass360.05
IUPAC Name1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C15H18Cl2N2O2S/c16-13-4-3-12(15(17)9-13)11-22(20,21)19-8-5-14(10-19)18-6-1-2-7-18/h1-4,9,14H,5-8,10-11H2
InChIKeyFGTJDXOSKWJVHC-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole (CID 75438945) is 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole is O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC(N2CC=CC2)C1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole?
The InChIKey is FGTJDXOSKWJVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2S/c16-13-4-3-12(15(17)9-13)11-22(20,21)19-8-5-14(10-19)18-6-1-2-7-18/h1-4,9,14H,5-8,10-11H2.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole?
1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole has a molecular weight of 361.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methylsulfonyl]pyrrolidin-3-yl]-2,5-dihydropyrrole is sourced from PubChem (CID 75438945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).