4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine

C19H20F3NO4S — CID 2728125

IUPAC4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESCOc1ccccc1C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3NO4S/c1-26-18-5-3-2-4-17(18)14-10-12-23(13-11-14)28(24,25)16-8-6-15(7-9-16)27-19(20,21)22/h2-9,14H,10-13H2,1H3
InChIKeyKAXOBXPPINWSNX-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.16
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine

4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine (PubChem CID 2728125) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
PubChem CID2728125
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC Name4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
SMILESCOc1ccccc1C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3NO4S/c1-26-18-5-3-2-4-17(18)14-10-12-23(13-11-14)28(24,25)16-8-6-15(7-9-16)27-19(20,21)22/h2-9,14H,10-13H2,1H3
InChIKeyKAXOBXPPINWSNX-UHFFFAOYSA-N
XLogP4.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine (CID 2728125) is 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine is COc1ccccc1C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
The InChIKey is KAXOBXPPINWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-26-18-5-3-2-4-17(18)14-10-12-23(13-11-14)28(24,25)16-8-6-15(7-9-16)27-19(20,21)22/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine?
4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine has a molecular weight of 415.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 2728125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).