3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide

Formula:C25H16N3O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is a drug-like molecule.

MolName3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
MolecularFormulaC25H16N3O4ClS
SmilesO=C(c1cccc(S(Nc2cccc(Cl)c2)(=O)=O)c1)N/N=C(/c1cccc2cccc3c12)\C3=O
InChIInChI=1S/C25H16ClN3O4S/c26-17-8-4-9-18(14-17)29-34(32,33)19-10-1-7-16(13-19)25(31)28-27-23-20-11-2-5-15-6-3-12-21(22(15)20)24(23)30/h1-14,29H,(H,28,31)
InChIKZFQUMLLMSBGSSG-UHFFFAOYSA-N
TotalMolweight489.938
Molweight489.938
MonoisotopicMass489.055004
CLogP4.739
CLogS-7.986
H Acceptors7
H Donors2
TotalSurfaceArea339.27
Relative PSA0.26259
PolarSurfaceArea113.08
Druglikeness-1.1702
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms1
Symmetricatoms1
Amides1
StereoCon

Request More Details | 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments