N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

C22H22F6N2O4S — CID 72544207

IUPACN-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6N2O4S/c1-2-30(35(32,33)17-7-5-6-15(14-17)21(23,24)25)16-10-12-29(13-11-16)20(31)18-8-3-4-9-19(18)34-22(26,27)28/h3-9,14,16H,2,10-13H2,1H3
InChIKeyGZRAKRFQJIDWEE-UHFFFAOYSA-N
MW524.48 g/mol
LogP4.92
Rot. Bonds6

About N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 72544207) has the molecular formula C22H22F6N2O4S and a molecular weight of 524.48 g/mol. Its IUPAC name is N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID72544207
Molecular FormulaC22H22F6N2O4S
Molecular Weight524.48 g/mol
Exact Mass524.12
IUPAC NameN-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6N2O4S/c1-2-30(35(32,33)17-7-5-6-15(14-17)21(23,24)25)16-10-12-29(13-11-16)20(31)18-8-3-4-9-19(18)34-22(26,27)28/h3-9,14,16H,2,10-13H2,1H3
InChIKeyGZRAKRFQJIDWEE-UHFFFAOYSA-N
XLogP4.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 72544207) is N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is CCN(C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GZRAKRFQJIDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O4S/c1-2-30(35(32,33)17-7-5-6-15(14-17)21(23,24)25)16-10-12-29(13-11-16)20(31)18-8-3-4-9-19(18)34-22(26,27)28/h3-9,14,16H,2,10-13H2,1H3.
What are the key properties of N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 524.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 72544207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).