C23H17N4O4F3S2 | Cheminformatics

2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Formula:C23H17N4O4F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.

MolName2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
MolecularFormulaC23H17N4O4F3S2
SmilesO=C(CSc1nnc(-c(cc2)ccc2NS(c2ccccc2)(=O)=O)o1)Nc1cc(C(F)(F)F)ccc1
InChIInChI=1S/C23H17F3N4O4S2/c24-23(25,26)16-5-4-6-18(13-16)27-20(31)14-35-22-29-28-21(34-22)15-9-11-17(12-10-15)30-36(32,33)19-7-2-1-3-8-19/h1-13,30H,14H2,(H,27,31)
InChIKNPOQVSTWDXBRNV-UHFFFAOYSA-N
TotalMolweight534.538
Molweight534.538
MonoisotopicMass534.06433
CLogP4.2345
CLogS-7.279
H Acceptors8
H Donors2
TotalSurfaceArea369.71
Relative PSA0.31939
PolarSurfaceArea147.87
Druglikeness-10.673
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms7
Amides2
Aromatic Nitrogens2
StereoCon

Request More Details | 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments