1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine

C11H13ClFNO4S2 — CID 71805547

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClFNO4S2/c1-19(15,16)9-4-5-14(7-9)20(17,18)8-2-3-11(13)10(12)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyAVGHZILTBFYYOS-UHFFFAOYSA-N
MW341.81 g/mol
LogP1.29
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine

1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine (PubChem CID 71805547) has the molecular formula C11H13ClFNO4S2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
PubChem CID71805547
Molecular FormulaC11H13ClFNO4S2
Molecular Weight341.81 g/mol
Exact Mass341.00
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClFNO4S2/c1-19(15,16)9-4-5-14(7-9)20(17,18)8-2-3-11(13)10(12)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyAVGHZILTBFYYOS-UHFFFAOYSA-N
XLogP1.29
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine 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-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine (CID 71805547) is 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
The InChIKey is AVGHZILTBFYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S2/c1-19(15,16)9-4-5-14(7-9)20(17,18)8-2-3-11(13)10(12)6-8/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine has a molecular weight of 341.81 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine is sourced from PubChem (CID 71805547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).