1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine

C14H17ClF3NO2S — CID 3471365

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17ClF3NO2S/c1-9-5-10(2)8-19(7-9)22(20,21)11-3-4-13(15)12(6-11)14(16,17)18/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyXDBJWAFEBCUHJX-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.03
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine (PubChem CID 3471365) has the molecular formula C14H17ClF3NO2S and a molecular weight of 355.81 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
PubChem CID3471365
Molecular FormulaC14H17ClF3NO2S
Molecular Weight355.81 g/mol
Exact Mass355.06
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17ClF3NO2S/c1-9-5-10(2)8-19(7-9)22(20,21)11-3-4-13(15)12(6-11)14(16,17)18/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyXDBJWAFEBCUHJX-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine (CID 3471365) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
The InChIKey is XDBJWAFEBCUHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2S/c1-9-5-10(2)8-19(7-9)22(20,21)11-3-4-13(15)12(6-11)14(16,17)18/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine has a molecular weight of 355.81 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 3471365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).