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C22H14N3O3ClS2 | Cheminformatics
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4-[5-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]furan-2-yl]benzenesulfonamide

Molecular Formula : C22H14N3O3ClS2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[5-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName : 4-[5-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]furan-2-yl]benzenesulfonamide

MolecularFormula : C22H14N3O3ClS2

Smiles : NS(c(cc1)ccc1-c1ccc(/C=C(/c2nc(-c(cc3)ccc3Cl)cs2)\C#N)o1)(=O)=O

InChI : InChI=1S/C22H14ClN3O3S2/c23-17-5-1-14(2-6-17)20-13-30-22(26-20)16(12-24)11-18-7-10-21(29-18)15-3-8-19(9-4-15)31(25,27)28/h1-11,13H,(H2,25,27,28)

InChIK : BZDOMXQUXKLTOU-UHFFFAOYSA-N

TotalMolweight : 467.956

Molweight : 467.956

MonoisotopicMass : 467.016509

CLogP : 4.2218

CLogS : -6.532

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 335.87

Relative PSA : 0.30622

PolarSurfaceArea : 146.6

Druglikeness : 1.6558

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 1

Symmetricatoms : 5

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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1 - 4-[5-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
2 - 4-[5-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
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