4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide

Formula:C20H16N4O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide is a drug-like molecule.

MolName	4-[[(Z)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
MolecularFormula	C20H16N4O5S
Smiles	O=C(/C=C\Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)c(cc1)cc2c1OCO2
InChI	InChI=1S/C20H16N4O5S/c25-17(14-2-7-18-19(12-14)29-13-28-18)8-11-21-15-3-5-16(6-4-15)30(26,27)24-20-22-9-1-10-23-20/h1-12,21H,13H2,(H,22,23,24)
InChIK	MRNHQAPQNYPUDJ-UHFFFAOYSA-N
TotalMolweight	424.436
Molweight	424.436
MonoisotopicMass	424.084141
CLogP	1.6913
CLogS	-5.097
H Acceptors	9
H Donors	2
TotalSurfaceArea	306.31
Relative PSA	0.34762
PolarSurfaceArea	127.89
Druglikeness	4.2071
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	2
StereoCon

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