4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine

C28H25F3N4O2S — CID 167477164

IUPAC4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C28H25F3N4O2S/c29-23-5-1-20(2-6-23)28(21-3-7-24(30)8-4-21)22-13-16-34(17-14-22)18-15-26-19-35(33-32-26)38(36,37)27-11-9-25(31)10-12-27/h1-12,19H,13-18H2
InChIKeySLFATMSSNNLQNG-UHFFFAOYSA-N
MW538.60 g/mol
LogP5.07
Rot. Bonds7

About 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine

4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine (PubChem CID 167477164) has the molecular formula C28H25F3N4O2S and a molecular weight of 538.60 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine
PubChem CID167477164
Molecular FormulaC28H25F3N4O2S
Molecular Weight538.60 g/mol
Exact Mass538.17
IUPAC Name4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C28H25F3N4O2S/c29-23-5-1-20(2-6-23)28(21-3-7-24(30)8-4-21)22-13-16-34(17-14-22)18-15-26-19-35(33-32-26)38(36,37)27-11-9-25(31)10-12-27/h1-12,19H,13-18H2
InChIKeySLFATMSSNNLQNG-UHFFFAOYSA-N
XLogP5.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine 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

4-[Bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-methylphenyl)sulfonyltriazol-4-yl]ethyl]piperidine
CID 155213258
1-[Bis(4-fluorophenyl)methyl]-4-[2-[1-(4-ethynylphenyl)sulfonyltriazol-4-yl]ethyl]piperazine
CID 155213259
4-[Bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-ethynylphenyl)sulfonyltriazol-4-yl]ethyl]piperidine
CID 155213260
4-[Bis(4-fluorophenyl)methylidene]-1-[2-[2-(4-ethynylphenyl)sulfonyltriazol-4-yl]ethyl]piperidine
CID 155213276
1-[Bis(4-fluorophenyl)methyl]-4-[2-[2-(4-ethynylphenyl)sulfonyltriazol-4-yl]ethyl]piperazine
CID 155213277
4-[Bis(4-fluorophenyl)methylidene]-1-[2-[1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonyltriazol-4-yl]ethyl]piperidine
CID 162517847
1-[Bis(4-fluorophenyl)methyl]-4-[2-[1-(4-methylphenyl)sulfonyltriazol-4-yl]ethyl]piperazine
CID 167477180
4-[Bis(4-fluorophenyl)methylidene]-1-[2-(1-cyclopropylsulfonyltriazol-4-yl)ethyl]piperidine
CID 167477199
2-[Bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-methylphenyl)sulfonyltriazol-4-yl]ethyl]piperidine
CID 175856258
4-[Bis(4-fluorophenyl)methylidene]-1-[4-[1-(4-methylphenyl)sulfonyltriazol-4-yl]butyl]piperidine
CID 178088580
4-[Bis(4-fluorophenyl)methylidene]-1-[4-(1-propylsulfonyltriazol-4-yl)butyl]piperidine
CID 178088606
4-methyl-N-[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienyl]-N-[2-[1-(4-methylphenyl)sulfonyltriazol-4-yl]ethyl]benzenesulfonamide
CID 134840669

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine (CID 167477164) is 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine is O=S(=O)(c1ccc(F)cc1)n1cc(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nn1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine?
The InChIKey is SLFATMSSNNLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2S/c29-23-5-1-20(2-6-23)28(21-3-7-24(30)8-4-21)22-13-16-34(17-14-22)18-15-26-19-35(33-32-26)38(36,37)27-11-9-25(31)10-12-27/h1-12,19H,13-18H2.
What are the key properties of 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine?
4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine has a molecular weight of 538.60 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-fluorophenyl)sulfonyltriazol-4-yl]ethyl]piperidine is sourced from PubChem (CID 167477164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).