4-[(4Z)-4-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Formula:C26H22N5O6F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[(4Z)-4-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is not a drug-like molecule.

MolName	4-[(4Z)-4-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
MolecularFormula	C26H22N5O6F3S
Smiles	NS(c(cc1)ccc1N(C1=O)N=C(C(F)(F)F)/C1=C/c1ccc(-c(cc2)cc([N+]([O-])=O)c2N2CCCCC2)o1)(=O)=O
InChI	InChI=1S/C26H22F3N5O6S/c27-26(28,29)24-20(25(35)33(31-24)17-5-8-19(9-6-17)41(30,38)39)15-18-7-11-23(40-18)16-4-10-21(22(14-16)34(36)37)32-12-2-1-3-13-32/h4-11,14-15H,1-3,12-13H2,(H2,30,38,39)
InChIK	WKTNXNZQSMIMHF-UHFFFAOYSA-N
TotalMolweight	589.55
Molweight	589.55
MonoisotopicMass	589.124289
CLogP	3.6624
CLogS	-6.988
H Acceptors	11
H Donors	1
TotalSurfaceArea	400.53
Relative PSA	0.29968
PolarSurfaceArea	163.41
Druglikeness	-13.205
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	7
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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1 - 4-[(4Z)-4-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | 2 - 4-[(4Z)-4-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

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