4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide

Formula:C23H16N2O5ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
MolecularFormula	C23H16N2O5ClFS
Smiles	NS(c(cc1)ccc1N(C(/C(/C1=O)=C(/c(cc2)ccc2Cl)\O)c(cc2)ccc2F)C1=O)(=O)=O
InChI	InChI=1S/C23H16ClFN2O5S/c24-15-5-1-14(2-6-15)21(28)19-20(13-3-7-16(25)8-4-13)27(23(30)22(19)29)17-9-11-18(12-10-17)33(26,31)32/h1-12,20,28H,(H2,26,31,32)/t20-/m1/s1
InChIK	QVJWLNCOQWYLPH-HXUWFJFHSA-N
TotalMolweight	486.906
Molweight	486.906
MonoisotopicMass	486.045248
CLogP	2.9051
CLogS	-4.942
H Acceptors	7
H Donors	2
TotalSurfaceArea	325.72
Relative PSA	0.26581
PolarSurfaceArea	126.15
Druglikeness	1.6516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	7
Amides	2
StereoCon	racemate

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