Cas no 189089-90-5 (1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid)

1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is a heterocyclic compound featuring a fused pyrrolopyridine core functionalized with a benzenesulfonyl group and a carboxylic acid moiety. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The benzenesulfonyl group enhances stability and modulates reactivity, while the carboxylic acid functionality allows for further derivatization, such as amide or ester formation. Its rigid aromatic framework contributes to potential binding interactions in biologically active molecules. The compound is of interest in medicinal chemistry for the development of kinase inhibitors or other targeted therapeutics due to its scaffold's resemblance to privileged pharmacophores. Proper handling and storage under inert conditions are recommended to preserve its integrity.
1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid structure
189089-90-5 structure
Product Name:1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS No:189089-90-5
MF:C14H10N2O4S
MW:302.305202007294
MDL:MFCD02083337
CID:822577
PubChem ID:24103658
Update Time:2025-05-27

1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • 1-(Phenylsulphonyl)-7-azaindole-2-carboxylic acid
    • 1-Benzenesulfonyl-1H-pyrrolo-[2,3-b]pyridine-2-carboxylic acid
    • 1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • 1-phenylsulfonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • 1-(phenylsulfonyl)-7-azaindole-2-carboxylic acid
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-(phenylsulfonyl)-
    • 1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • Oprea1_626785
    • DUNCEEUEBVPMEV-UHFFFAOYSA-N
    • PB15705
    • AX
    • AKOS015840656
    • MFCD02083337
    • DTXSID70636017
    • 1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid
    • 189089-90-5
    • DB-086231
    • SCHEMBL4876447
    • SY097080
    • DS-0779
    • CS-0005164
    • MDL: MFCD02083337
    • Inchi: 1S/C14H10N2O4S/c17-14(18)12-9-10-5-4-8-15-13(10)16(12)21(19,20)11-6-2-1-3-7-11/h1-9H,(H,17,18)
    • InChI Key: DUNCEEUEBVPMEV-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(N1C(C(=O)O)=CC2=CC=CN=C12)(=O)=O

Computed Properties

  • Exact Mass: 302.03600
  • Monoisotopic Mass: 302.03612798g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 496
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 97.6
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 587.1±53.0 °C at 760 mmHg
  • Flash Point: 308.8±30.9 °C
  • PSA: 97.64000
  • LogP: 3.05230
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Security Information

1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Production Method

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