4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine

C13H16F3NO4S2 — CID 71805726

IUPAC4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO4S2/c1-22(18,19)11-6-8-17(9-7-11)23(20,21)12-4-2-10(3-5-12)13(14,15)16/h2-5,11H,6-9H2,1H3
InChIKeyKRCLVJPGWDLOQM-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.90
Rot. Bonds3

About 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine

4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 71805726) has the molecular formula C13H16F3NO4S2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID71805726
Molecular FormulaC13H16F3NO4S2
Molecular Weight371.40 g/mol
Exact Mass371.05
IUPAC Name4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO4S2/c1-22(18,19)11-6-8-17(9-7-11)23(20,21)12-4-2-10(3-5-12)13(14,15)16/h2-5,11H,6-9H2,1H3
InChIKeyKRCLVJPGWDLOQM-UHFFFAOYSA-N
XLogP1.90
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 71805726) is 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine is CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is KRCLVJPGWDLOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4S2/c1-22(18,19)11-6-8-17(9-7-11)23(20,21)12-4-2-10(3-5-12)13(14,15)16/h2-5,11H,6-9H2,1H3.
What are the key properties of 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 371.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 71805726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).