N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide

C17H19F3N4O4S — CID 71792966

IUPACN,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1
InChIInChI=1S/C17H19F3N4O4S/c1-23(2)29(26,27)13-5-3-12(4-6-13)15(25)24-9-7-11(8-10-24)14-21-22-16(28-14)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyFOFIEFDBOVINOJ-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.36
Rot. Bonds4

About N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 71792966) has the molecular formula C17H19F3N4O4S and a molecular weight of 432.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID71792966
Molecular FormulaC17H19F3N4O4S
Molecular Weight432.42 g/mol
Exact Mass432.11
IUPAC NameN,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1
InChIInChI=1S/C17H19F3N4O4S/c1-23(2)29(26,27)13-5-3-12(4-6-13)15(25)24-9-7-11(8-10-24)14-21-22-16(28-14)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyFOFIEFDBOVINOJ-UHFFFAOYSA-N
XLogP2.36
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide (CID 71792966) is N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is FOFIEFDBOVINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4S/c1-23(2)29(26,27)13-5-3-12(4-6-13)15(25)24-9-7-11(8-10-24)14-21-22-16(28-14)17(18,19)20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 432.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 71792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).