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C14H11N3O4S2 | Cheminformatics
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4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

Molecular Formula : C14H11N3O4S2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName : 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide

MolecularFormula : C14H11N3O4S2

Smiles : NC(S/C1=C\c2ccc(-c(cc3)ccc3S(N)(=O)=O)o2)=NC1=O

InChI : InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)

InChIK : BKUMVXIXUVYKDQ-UHFFFAOYSA-N

TotalMolweight : 349.39

Molweight : 349.39

MonoisotopicMass : 349.019097

CLogP : 0.7009

CLogS : -4.648

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 237.75

Relative PSA : 0.48484

PolarSurfaceArea : 162.43

Druglikeness : 4.9722

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6087

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 3

Amides : 1

BasicNitrogens : 1

StereoCon :

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1 - 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
2 - 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
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