2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine

C19H20F3NO4S — CID 46823397

IUPAC2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
SMILESCOc1ccc(OC)c(C2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO4S/c1-26-14-8-9-18(27-2)16(12-14)17-7-4-10-23(17)28(24,25)15-6-3-5-13(11-15)19(20,21)22/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3
InChIKeyPMKVLYNSYJBLHC-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.25
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine

2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine (PubChem CID 46823397) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
PubChem CID46823397
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC Name2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
SMILESCOc1ccc(OC)c(C2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO4S/c1-26-14-8-9-18(27-2)16(12-14)17-7-4-10-23(17)28(24,25)15-6-3-5-13(11-15)19(20,21)22/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3
InChIKeyPMKVLYNSYJBLHC-UHFFFAOYSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
(2S)-2-(2,5-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidine
CID 9190240
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17486260
5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 9190196
1-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987453
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650
3-methoxy-4-[3-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]phenyl]pyridine
CID 145433868
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
methyl 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 55515450
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine (CID 46823397) is 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine is COc1ccc(OC)c(C2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
The InChIKey is PMKVLYNSYJBLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-26-14-8-9-18(27-2)16(12-14)17-7-4-10-23(17)28(24,25)15-6-3-5-13(11-15)19(20,21)22/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine?
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine has a molecular weight of 415.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 46823397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).