(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine

C22H25F4N3O2S — CID 24906148

IUPAC(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine
SMILESC[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C22H25F4N3O2S/c1-16-15-28(21-8-7-17(23)13-20(21)22(24,25)26)11-12-29(16)32(30,31)19-6-4-5-18(14-19)27-9-2-3-10-27/h4-8,13-14,16H,2-3,9-12,15H2,1H3/t16-/m1/s1
InChIKeyHMFDXGSAJKOZIA-MRXNPFEDSA-N
MW471.52 g/mol
LogP4.34
Rot. Bonds4

About (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine

(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine (PubChem CID 24906148) has the molecular formula C22H25F4N3O2S and a molecular weight of 471.52 g/mol. Its IUPAC name is (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine
PubChem CID24906148
Molecular FormulaC22H25F4N3O2S
Molecular Weight471.52 g/mol
Exact Mass471.16
IUPAC Name(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine
SMILESC[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C22H25F4N3O2S/c1-16-15-28(21-8-7-17(23)13-20(21)22(24,25)26)11-12-29(16)32(30,31)19-6-4-5-18(14-19)27-9-2-3-10-27/h4-8,13-14,16H,2-3,9-12,15H2,1H3/t16-/m1/s1
InChIKeyHMFDXGSAJKOZIA-MRXNPFEDSA-N
XLogP4.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine 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 (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine?
The IUPAC name of (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine (CID 24906148) is (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine?
The canonical SMILES for (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine is C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CCCC2)c1.
What is the InChIKey of (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine?
The InChIKey is HMFDXGSAJKOZIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25F4N3O2S/c1-16-15-28(21-8-7-17(23)13-20(21)22(24,25)26)11-12-29(16)32(30,31)19-6-4-5-18(14-19)27-9-2-3-10-27/h4-8,13-14,16H,2-3,9-12,15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine?
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine has a molecular weight of 471.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-(3-pyrrolidin-1-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 24906148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).