N'-(benzenesulfonyl)-2,2,2-trifluoro-N-phenylethanimidamide

Formula:C14H11N2O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-(benzenesulfonyl)-2,2,2-trifluoro-N-phenylethanimidamide is a drug-like molecule.

MolNameN'-(benzenesulfonyl)-2,2,2-trifluoro-N-phenylethanimidamide
MolecularFormulaC14H11N2O2F3S
SmilesO=S(c1ccccc1)(/N=C(/C(F)(F)F)\Nc1ccccc1)=O
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)13(18-11-7-3-1-4-8-11)19-22(20,21)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKVXSSBJOUVMZHOK-UHFFFAOYSA-N
TotalMolweight328.313
Molweight328.313
MonoisotopicMass328.049332
CLogP3.0502
CLogS-3.79
H Acceptors4
H Donors1
TotalSurfaceArea225.49
Relative PSA0.22861
PolarSurfaceArea66.91
Druglikeness-17.341
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54545
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms7
BasicNitrogens1
StereoCon

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