Molecule ID: 129236

IUPAC Name: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide

Description: The molecule is a member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a sulfonamide, a member of isoquinolines, an organochlorine compound and a primary amino compound.

SMILES: NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12

SELFIES: [N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=N][C][=C][Ring1][O][Ring1][=Branch1]

InChI: InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2

Molecular Properties:
- Polar Surface Area: 93.5 Ų
- LogP: 0.8