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C23H19N3O5Cl2S | Cheminformatics

2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide

Molecular Formula : C23H19N3O5Cl2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide is not a drug-like molecule.

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

MolecularFormula : C23H19N3O5Cl2S

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

InChI : InChI=1S/C23H19Cl2N3O5S/c24-19-10-9-17(13-20(19)25)28(34(30,31)18-6-2-1-3-7-18)15-22(29)27-26-14-16-5-4-8-21-23(16)33-12-11-32-21/h1-10,13-14H,11-12,15H2,(H,27,29)

InChIK : ZVSXQGAQNNXVIP-UHFFFAOYSA-N

TotalMolweight : 520.392

Molweight : 520.392

MonoisotopicMass : 519.042246

CLogP : 4.2416

CLogS : -6.58

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 364.25

Relative PSA : 0.24198

PolarSurfaceArea : 105.68

Druglikeness : -8.7324

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.47059

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 3

Amides : 1

StereoCon :

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