3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine

C22H19ClFNO4S2 — CID 90587938

IUPAC3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C22H19ClFNO4S2/c23-18-5-11-20(12-6-18)30(26,27)22-13-14-25(15-22)31(28,29)21-9-3-17(4-10-21)16-1-7-19(24)8-2-16/h1-12,22H,13-15H2
InChIKeyZHRXYDYTDWUKPO-UHFFFAOYSA-N
MW479.98 g/mol
LogP4.38
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine

3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine (PubChem CID 90587938) has the molecular formula C22H19ClFNO4S2 and a molecular weight of 479.98 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
PubChem CID90587938
Molecular FormulaC22H19ClFNO4S2
Molecular Weight479.98 g/mol
Exact Mass479.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C22H19ClFNO4S2/c23-18-5-11-20(12-6-18)30(26,27)22-13-14-25(15-22)31(28,29)21-9-3-17(4-10-21)16-1-7-19(24)8-2-16/h1-12,22H,13-15H2
InChIKeyZHRXYDYTDWUKPO-UHFFFAOYSA-N
XLogP4.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.98
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine 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

1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
CID 90587931
3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
CID 90587859
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 99903355

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine (CID 90587938) is 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine?
The InChIKey is ZHRXYDYTDWUKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO4S2/c23-18-5-11-20(12-6-18)30(26,27)22-13-14-25(15-22)31(28,29)21-9-3-17(4-10-21)16-1-7-19(24)8-2-16/h1-12,22H,13-15H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine?
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine has a molecular weight of 479.98 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 90587938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).