Molecule ID: 6918638

IUPAC Name: (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

Description: The molecule is a hydroxamic acid-type histone deacetylase (HDAC) inhibitor with antineoplastic activity. It has a role as an antineoplastic agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a hydroxamic acid, a sulfonamide and an olefinic compound.

SMILES: O=S(=O)(Nc1ccccc1)c1cccc(/C=C/C(O)=NO)c1

SELFIES: [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][/C][=C][/C][Branch1][C][O][=N][O][=C][Ring1][N]

InChI: InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.7