N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide

C20H18F4N4O4S — CID 126508498

IUPACN-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18F4N4O4S/c21-16-5-7-17(8-6-16)28(33(29,30)27-9-11-31-12-10-27)13-14-1-3-15(4-2-14)18-25-26-19(32-18)20(22,23)24/h1-8H,9-13H2
InChIKeyZSYBICDWGQIDQE-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.48
Rot. Bonds6

About N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide

N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide (PubChem CID 126508498) has the molecular formula C20H18F4N4O4S and a molecular weight of 486.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide
PubChem CID126508498
Molecular FormulaC20H18F4N4O4S
Molecular Weight486.45 g/mol
Exact Mass486.10
IUPAC NameN-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18F4N4O4S/c21-16-5-7-17(8-6-16)28(33(29,30)27-9-11-31-12-10-27)13-14-1-3-15(4-2-14)18-25-26-19(32-18)20(22,23)24/h1-8H,9-13H2
InChIKeyZSYBICDWGQIDQE-UHFFFAOYSA-N
XLogP3.48
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 178189718
1-cyclobutyl-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-4-sulfonamide
CID 147388723
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-[methyl(dimethylidene)-λ6-sulfanyl]-N-phenylpiperazine-1-sulfonamide
CID 153258944
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)thiomorpholine-4-sulfonamide
CID 171514000
N-(3-fluorophenyl)-1,1-dioxo-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894088
1-oxo-N-(4-phenylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 167496684
N-(4-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]methanesulfinamide
CID 145238702
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide
CID 126506136
(3R,5S)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
CID 126509003
[4-tert-butyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]anilino]-(1,1-dioxo-1,4-thiazinan-4-yl)methanol
CID 162598430
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-3,5-dimethyl-N-phenylpiperazine-1-sulfonamide
CID 140893909
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
CID 126506887

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide (CID 126508498) is N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide is O=S(=O)(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide?
The InChIKey is ZSYBICDWGQIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O4S/c21-16-5-7-17(8-6-16)28(33(29,30)27-9-11-31-12-10-27)13-14-1-3-15(4-2-14)18-25-26-19(32-18)20(22,23)24/h1-8H,9-13H2.
What are the key properties of N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide?
N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide has a molecular weight of 486.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 126508498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).