5-Chloro-3-((4-fluorophenyl)thio)-1H-indole-2-carboxamide

• Catalog: OFC540740769
• CAS: 540740-76-9
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole-2-carboxamide, 5-chloro-3-[(4-fluorophenyl)thio]-
• Purity: 97%

• IUPAC Name: 5-chloro-3-(4-fluorophenyl)sulfanyl-1H-indole-2-carboxamide
• InChI: InChI=1S/C15H10ClFN2OS/c16-8-1-6-12-11(7-8)14(13(19-12)15(18)20)21-10-4-2-9(17)3-5-10/h1-7,19H,(H2,18,20)
• InChI Key: URVQMKDOBSCMQF-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1F)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N

• Molecular Formula: C15H10ClFN2OS
• Molecular Weight: 320.77

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.0186400 g/mol
• Monoisotopic Mass: 320.0186400 g/mol
• Topological Polar Surface Area: 84.2Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 392