[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Formula:C17H15N2O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
MolecularFormula	C17H15N2O5ClS
Smiles	NS(c1cccc(NC(COC(/C=C/c(cc2)ccc2Cl)=O)=O)c1)(=O)=O
InChI	InChI=1S/C17H15ClN2O5S/c18-13-7-4-12(5-8-13)6-9-17(22)25-11-16(21)20-14-2-1-3-15(10-14)26(19,23)24/h1-10H,11H2,(H,20,21)(H2,19,23,24)
InChIK	AEYLNOFUGIWSRT-UHFFFAOYSA-N
TotalMolweight	394.834
Molweight	394.834
MonoisotopicMass	394.03902
CLogP	2.0642
CLogS	-4.036
H Acceptors	7
H Donors	2
TotalSurfaceArea	282.76
Relative PSA	0.32321
PolarSurfaceArea	123.94
Druglikeness	-2.7348
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
Amides	2
StereoCon

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1 - [2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate | 2 - [2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

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