1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine

C26H25F5N2O3S — CID 46102646

IUPAC1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(CCOC(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H25F5N2O3S/c27-22-16-23(28)18-24(17-22)37(34,35)33-11-9-32(10-12-33)13-14-36-25(19-5-2-1-3-6-19)20-7-4-8-21(15-20)26(29,30)31/h1-8,15-18,25H,9-14H2
InChIKeyIMJSMZRHMZYYPG-UHFFFAOYSA-N
MW540.55 g/mol
LogP5.10
Rot. Bonds8

About 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine

1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine (PubChem CID 46102646) has the molecular formula C26H25F5N2O3S and a molecular weight of 540.55 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
PubChem CID46102646
Molecular FormulaC26H25F5N2O3S
Molecular Weight540.55 g/mol
Exact Mass540.15
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(CCOC(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H25F5N2O3S/c27-22-16-23(28)18-24(17-22)37(34,35)33-11-9-32(10-12-33)13-14-36-25(19-5-2-1-3-6-19)20-7-4-8-21(15-20)26(29,30)31/h1-8,15-18,25H,9-14H2
InChIKeyIMJSMZRHMZYYPG-UHFFFAOYSA-N
XLogP5.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.55
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine 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-nitrophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 46102551
4-[4-[phenyl-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethoxy]methyl]phenyl]morpholine
CID 46102631
1-[2-[(R)-(3,4-difluorophenyl)-phenylmethoxy]ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 92772362
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
CID 46102619
4-[2-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 98404773
1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 46102630
1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 92772560
methyl 2-[[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine-1-carbonyl]amino]benzoate
CID 46102692
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyethyl)piperazine
CID 78821056
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine (CID 46102646) is 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine is O=S(=O)(c1cc(F)cc(F)c1)N1CCN(CCOC(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine?
The InChIKey is IMJSMZRHMZYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F5N2O3S/c27-22-16-23(28)18-24(17-22)37(34,35)33-11-9-32(10-12-33)13-14-36-25(19-5-2-1-3-6-19)20-7-4-8-21(15-20)26(29,30)31/h1-8,15-18,25H,9-14H2.
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine?
1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine has a molecular weight of 540.55 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine is sourced from PubChem (CID 46102646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).