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

C19H17F3N2O3S — CID 3857330

IUPAC4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-16-6-8-17(9-7-16)28(25,26)24-12-10-18(14-23,11-13-24)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeySJLIKCPDUKICDO-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.83
Rot. Bonds4

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

4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile (PubChem CID 3857330) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile
PubChem CID3857330
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H17F3N2O3S/c20-19(21,22)27-16-6-8-17(9-7-16)28(25,26)24-12-10-18(14-23,11-13-24)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeySJLIKCPDUKICDO-UHFFFAOYSA-N
XLogP3.83
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile (CID 3857330) is 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile?
The InChIKey is SJLIKCPDUKICDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c20-19(21,22)27-16-6-8-17(9-7-16)28(25,26)24-12-10-18(14-23,11-13-24)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile?
4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile has a molecular weight of 410.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonitrile is sourced from PubChem (CID 3857330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).