1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C21H23F3N2O3S — CID 26087805

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C21H23F3N2O3S/c1-14-6-7-19(15(2)12-14)30(28,29)26-10-8-16(9-11-26)20(27)25-18-5-3-4-17(13-18)21(22,23)24/h3-7,12-13,16H,8-11H2,1-2H3,(H,25,27)
InChIKeyQZTYYJBKTZCVFW-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.36
Rot. Bonds4

About 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 26087805) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID26087805
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C21H23F3N2O3S/c1-14-6-7-19(15(2)12-14)30(28,29)26-10-8-16(9-11-26)20(27)25-18-5-3-4-17(13-18)21(22,23)24/h3-7,12-13,16H,8-11H2,1-2H3,(H,25,27)
InChIKeyQZTYYJBKTZCVFW-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 26087805) is 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is QZTYYJBKTZCVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-14-6-7-19(15(2)12-14)30(28,29)26-10-8-16(9-11-26)20(27)25-18-5-3-4-17(13-18)21(22,23)24/h3-7,12-13,16H,8-11H2,1-2H3,(H,25,27).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).