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N-(4-chlorophenyl)-3-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl]benzenesulfonamide

Formula:C33H26N3O3ClF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-chlorophenyl)-3-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl]benzenesulfonamide is not a drug-like molecule.
MolNameN-(4-chlorophenyl)-3-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carbonyl]benzenesulfonamide
MolecularFormulaC33H26N3O3ClF2S
SmilesO=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F
InChIInChI=1S/C33H26ClF2N3O3S/c34-25-11-17-28(18-12-25)38-43(41,42)29-5-1-4-24(20-29)33(40)39-32(22-9-15-27(36)16-10-22)30-6-2-3-23(31(30)37-39)19-21-7-13-26(35)14-8-21/h1,4-5,7-20,30,32,38H,2-3,6H2
InChIKZARXWDMTYZVJNC-UHFFFAOYSA-N
TotalMolweight618.102
Molweight618.102
MonoisotopicMass617.135145
CLogP6.9632
CLogS-8.269
H Acceptors6
H Donors1
TotalSurfaceArea435.71
Relative PSA0.15639
PolarSurfaceArea87.22
Druglikeness-2.1504
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48837
Fragments1
Non HAtoms43
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms7
Amides1
StereoConunknown chirality

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