Cas no 479553-03-2 (1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-)

1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]- structure
479553-03-2 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
CAS No:479553-03-2
MF:C15H12N2O3S
MW:300.332382202148
CID:832930
Update Time:2026-04-29

1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
    • Inchi: InChI=1S/C15H12N2O3S/c1-11-4-6-14(7-5-11)21(19,20)17-13(10-18)9-12-3-2-8-16-15(12)17/h2-10H,1H3
    • InChI Key: IBQWPMMKADOYIX-UHFFFAOYSA-N
    • SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C=O

Computed Properties

  • Exact Mass: 300.05700
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 77.41000
  • LogP: 3.47500
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