4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzenesulfonamide

Formula:C15H13N2O2BrS Mutagenic:high Tumorigenic:low Reproductive Effective:none 4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzenesulfonamide is a drug-like molecule.

MolName4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzenesulfonamide
MolecularFormulaC15H13N2O2BrS
SmilesNS(c(cc1)ccc1/N=C/C(/Br)=C/c1ccccc1)(=O)=O
InChIInChI=1S/C15H13BrN2O2S/c16-13(10-12-4-2-1-3-5-12)11-18-14-6-8-15(9-7-14)21(17,19)20/h1-11H,(H2,17,19,20)
InChIKDYWNFRRMDYRBBD-UHFFFAOYSA-N
TotalMolweight365.25
Molweight365.25
MonoisotopicMass363.988109
CLogP2.4083
CLogS-4.182
H Acceptors4
H Donors1
TotalSurfaceArea238.22
Relative PSA0.23239
PolarSurfaceArea80.9
Druglikeness-5.8001
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms21
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms5
Amides1
StereoCon

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