3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine

C18H18F3NO3S — CID 6624801

IUPAC3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C18H18F3NO3S/c19-18(20,21)25-16-8-10-17(11-9-16)26(23,24)22-12-4-7-15(13-22)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2
InChIKeyWWYNBICYPLOWCF-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.15
Rot. Bonds4

About 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine

3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine (PubChem CID 6624801) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
PubChem CID6624801
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C18H18F3NO3S/c19-18(20,21)25-16-8-10-17(11-9-16)26(23,24)22-12-4-7-15(13-22)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2
InChIKeyWWYNBICYPLOWCF-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine (CID 6624801) is 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The InChIKey is WWYNBICYPLOWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c19-18(20,21)25-16-8-10-17(11-9-16)26(23,24)22-12-4-7-15(13-22)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2.
What are the key properties of 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine has a molecular weight of 385.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 6624801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).