4-[5-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzenesulfonamide

Formula:C21H13N3O4ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-[5-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzenesulfonamide
MolecularFormula	C21H13N3O4ClF3S
Smiles	NS(c(cc1)ccc1-c1ccc(/C=C(/C(C(F)(F)F)=NN2c(cc3)ccc3Cl)\C2=O)o1)(=O)=O
InChI	InChI=1S/C21H13ClF3N3O4S/c22-13-3-5-14(6-4-13)28-20(29)17(19(27-28)21(23,24)25)11-15-7-10-18(32-15)12-1-8-16(9-2-12)33(26,30)31/h1-11H,(H2,26,30,31)
InChIK	DRMBCDGPDAYZEI-UHFFFAOYSA-N
TotalMolweight	495.864
Molweight	495.864
MonoisotopicMass	495.026738
CLogP	4.357
CLogS	-6.272
H Acceptors	7
H Donors	1
TotalSurfaceArea	326.68
Relative PSA	0.26344
PolarSurfaceArea	114.35
Druglikeness	-4.4878
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	7
Amides	1
StereoCon

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1 - 4-[5-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-[1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzenesulfonamide

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