(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine

C20H19F6NO3S2 — CID 160901312

IUPAC(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine
SMILESO=S(=O)(C[C@@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F6NO3S2/c21-19(22,23)30-16-2-1-3-18(10-16)32(28,29)13-15-8-9-27(12-15)11-14-4-6-17(7-5-14)31-20(24,25)26/h1-7,10,15H,8-9,11-13H2/t15-/m1/s1
InChIKeySPNRQPAPTHPJGB-OAHLLOKOSA-N
MW499.50 g/mol
LogP5.49
Rot. Bonds7

About (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine

(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine (PubChem CID 160901312) has the molecular formula C20H19F6NO3S2 and a molecular weight of 499.50 g/mol. Its IUPAC name is (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine
PubChem CID160901312
Molecular FormulaC20H19F6NO3S2
Molecular Weight499.50 g/mol
Exact Mass499.07
IUPAC Name(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine
SMILESO=S(=O)(C[C@@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H19F6NO3S2/c21-19(22,23)30-16-2-1-3-18(10-16)32(28,29)13-15-8-9-27(12-15)11-14-4-6-17(7-5-14)31-20(24,25)26/h1-7,10,15H,8-9,11-13H2/t15-/m1/s1
InChIKeySPNRQPAPTHPJGB-OAHLLOKOSA-N
XLogP5.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine 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

(3R)-1-[(4-thiophen-2-ylphenyl)methyl]-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidine
CID 153219831
(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 158782417
2-[4-[[(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
CID 157065958
N-[(3R)-1-[[4-(4-methylphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130211571
(3R)-1-[[4-(2-methoxyphenyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 160934077
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
1-(3-fluorophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 31774817
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine?
The IUPAC name of (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine (CID 160901312) is (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine is O=S(=O)(C[C@@H]1CCN(Cc2ccc(SC(F)(F)F)cc2)C1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine?
The InChIKey is SPNRQPAPTHPJGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19F6NO3S2/c21-19(22,23)30-16-2-1-3-18(10-16)32(28,29)13-15-8-9-27(12-15)11-14-4-6-17(7-5-14)31-20(24,25)26/h1-7,10,15H,8-9,11-13H2/t15-/m1/s1.
What are the key properties of (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine?
(3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine has a molecular weight of 499.50 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 160901312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).