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(E)-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]ethenesulfonamide

Formula:C20H15N5O2Cl2F6S Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]ethenesulfonamide is not a drug-like molecule.
MolName(E)-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]ethenesulfonamide
MolecularFormulaC20H15N5O2Cl2F6S
SmilesO=S(/C=C/c1cccn1-c(ncc(C(F)(F)F)c1)c1Cl)(NCCNc1ncc(C(F)(F)F)cc1Cl)=O
InChIInChI=1S/C20H15Cl2F6N5O2S/c21-15-8-12(19(23,24)25)10-30-17(15)29-4-5-32-36(34,35)7-3-14-2-1-6-33(14)18-16(22)9-13(11-31-18)20(26,27)28/h1-3,6-11,32H,4-5H2,(H,29,30)
InChIKRKGJLEQTNQMBOR-UHFFFAOYSA-N
TotalMolweight574.332
Molweight574.332
MonoisotopicMass573.022767
CLogP5.39
CLogS-7.306
H Acceptors7
H Donors2
TotalSurfaceArea374.78
Relative PSA0.21429
PolarSurfaceArea97.29
Druglikeness-3.718
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functions
Shape Index0.58333
Fragments1
Non HAtoms36
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms5
Symmetricatoms5
Amides1
Aromatic Nitrogens3
BasicNitrogens2
StereoCon

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