2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

Formula:C15H12N5O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
MolecularFormulaC15H12N5O3ClS2
SmilesO=C(CNS(c1cccc2nsnc12)(=O)=O)N/N=C\c(cc1)ccc1Cl
InChIInChI=1S/C15H12ClN5O3S2/c16-11-6-4-10(5-7-11)8-17-19-14(22)9-18-26(23,24)13-3-1-2-12-15(13)21-25-20-12/h1-8,18H,9H2,(H,19,22)
InChIKKFLCNRLWUZLYFP-UHFFFAOYSA-N
TotalMolweight409.877
Molweight409.877
MonoisotopicMass409.007007
CLogP3.0945
CLogS-0.404
H Acceptors8
H Donors2
TotalSurfaceArea284.27
Relative PSA0.41633
PolarSurfaceArea150.03
Druglikeness7.3156
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms2
Symmetricatoms3
Amides1
Aromatic Nitrogens2
StereoCon

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