4-nitro-N-[2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]benzenesulfonamide

Formula:C19H15N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]benzenesulfonamide is a drug-like molecule.

MolName	4-nitro-N-[2-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]phenyl]benzenesulfonamide
MolecularFormula	C19H15N3O5S2
Smiles	[O-][N+](c(cc1)ccc1S(Nc(cccc1)c1N/C=C/C(c1cccs1)=O)(=O)=O)=O
InChI	InChI=1S/C19H15N3O5S2/c23-18(19-6-3-13-28-19)11-12-20-16-4-1-2-5-17(16)21-29(26,27)15-9-7-14(8-10-15)22(24)25/h1-13,20-21H
InChIK	ZTCFFCBZVIGLSD-UHFFFAOYSA-N
TotalMolweight	429.476
Molweight	429.476
MonoisotopicMass	429.045312
CLogP	1.7186
CLogS	-5.589
H Acceptors	8
H Donors	2
TotalSurfaceArea	308.14
Relative PSA	0.37425
PolarSurfaceArea	157.71
Druglikeness	-4.0777
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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