1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine

C13H16F3NO3S — CID 2929336

IUPAC1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C13H16F3NO3S/c1-20-11-4-6-12(7-5-11)21(18,19)17-8-2-3-10(9-17)13(14,15)16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyOQNYXZNFHLDXIO-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine

1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 2929336) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID2929336
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C13H16F3NO3S/c1-20-11-4-6-12(7-5-11)21(18,19)17-8-2-3-10(9-17)13(14,15)16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyOQNYXZNFHLDXIO-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine (CID 2929336) is 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine is COc1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is OQNYXZNFHLDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-20-11-4-6-12(7-5-11)21(18,19)17-8-2-3-10(9-17)13(14,15)16/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 323.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 2929336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).