5,7-Difluoro-3-iodo-1-(phenylsulfonyl)-1H-indole

• Catalog: OFC500139015
• CAS: 500139-01-5
• Category: Fluorinated Indoles
• Synonyms: 1-(Benzenesulfonyl)-5,7-difluoro-3-iodo-1H-indole
• MDL Number: MFCD13177483

• IUPAC Name: 1-(benzenesulfonyl)-5,7-difluoro-3-iodoindole
• InChI: InChI=1S/C14H8F2INO2S/c15-9-6-11-13(17)8-18(14(11)12(16)7-9)21(19,20)10-4-2-1-3-5-10/h1-8H
• InChI Key: MAJBTMPMUUCYME-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=CC(=C3)F)F)I

• Molecular Formula: C14H8F2INO2S
• Molecular Weight: 419.19

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 418.92885 g/mol
• Monoisotopic Mass: 418.92885 g/mol
• Topological Polar Surface Area: 47.4Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 478