1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine

C11H11ClF3NO2S — CID 697852

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C11H11ClF3NO2S/c12-10-4-3-8(7-9(10)11(13,14)15)19(17,18)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2
InChIKeyJVGSEVZDIMISRV-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.14
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine (PubChem CID 697852) has the molecular formula C11H11ClF3NO2S and a molecular weight of 313.73 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
PubChem CID697852
Molecular FormulaC11H11ClF3NO2S
Molecular Weight313.73 g/mol
Exact Mass313.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C11H11ClF3NO2S/c12-10-4-3-8(7-9(10)11(13,14)15)19(17,18)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2
InChIKeyJVGSEVZDIMISRV-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-3-(trifluoromethyl)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-[(2-Chlorobenzyl)sulfonyl]pyrrolidine
CID 2987144
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4833482
1-[3-(Trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 737167
1-(4-Chloro-3-(trifluoromethyl)benzenesulfonyl)piperazine
CID 2443160
4-chloro-N-methyl-3-(trifluoromethyl)benzene-1-sulfonamide
CID 4557473
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylazepane
CID 649018
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 44420482
1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 697899
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine
CID 801298
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 801312
1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-4-ethylpiperazine
CID 1190478
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine (CID 697852) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The InChIKey is JVGSEVZDIMISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2S/c12-10-4-3-8(7-9(10)11(13,14)15)19(17,18)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine has a molecular weight of 313.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 697852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).