N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide

C21H23F3N2O3S — CID 2214926

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N2O3S/c22-21(23,24)18-7-4-8-19(14-18)30(28,29)25-15-20(27)26-11-9-17(10-12-26)13-16-5-2-1-3-6-16/h1-8,14,17,25H,9-13,15H2
InChIKeyNBZGJUVQNJEJMA-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2214926) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2214926
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N2O3S/c22-21(23,24)18-7-4-8-19(14-18)30(28,29)25-15-20(27)26-11-9-17(10-12-26)13-16-5-2-1-3-6-16/h1-8,14,17,25H,9-13,15H2
InChIKeyNBZGJUVQNJEJMA-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 2214926) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NBZGJUVQNJEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c22-21(23,24)18-7-4-8-19(14-18)30(28,29)25-15-20(27)26-11-9-17(10-12-26)13-16-5-2-1-3-6-16/h1-8,14,17,25H,9-13,15H2.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 440.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2214926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).