Molecule ID: 91621

IUPAC Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid

Description: The molecule is an aminonaphthalenesulfonic acid fluorophore with a structure consisting of ethylenediamine substituted on the nitrogens with iodoacetyl and 5-sulfonyl-1-naphthyl groups. It has a role as a fluorescent probe.

SMILES: O=S(=O)(O)c1cccc2c(NCCN=C(O)CI)cccc12

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][O][N][C][C][N][=C][Branch1][C][O][C][I][C][=C][C][=C][Ring2][Ring1][C][Ring1][=C]

InChI: InChI=1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.9