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C24H19N3O5ClF3S | Cheminformatics
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2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide

Molecular Formula : C24H19N3O5ClF3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName : 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide

MolecularFormula : C24H19N3O5ClF3S

Smiles : O=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1c2OCCOc2ccc1

InChI : InChI=1S/C24H19ClF3N3O5S/c25-20-10-9-17(13-19(20)24(26,27)28)31(37(33,34)18-6-2-1-3-7-18)15-22(32)30-29-14-16-5-4-8-21-23(16)36-12-11-35-21/h1-10,13-14H,11-12,15H2,(H,30,32)

InChIK : MRECZZVLPOUDSN-UHFFFAOYSA-N

TotalMolweight : 553.944

Molweight : 553.944

MonoisotopicMass : 553.068603

CLogP : 4.4839

CLogS : -6.622

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 378.29

Relative PSA : 0.233

PolarSurfaceArea : 105.68

Druglikeness : -15.695

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.43243

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 5

Amides : 1

StereoCon :

Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide
2 - 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide
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