Cas no 19580-33-7 (4-(pyrrolidine-1-sulfonyl)benzoic acid)

4-(Pyrrolidine-1-sulfonyl)benzoic acid is a sulfonamide-containing benzoic acid derivative with applications in organic synthesis and pharmaceutical research. Its structure combines a pyrrolidine sulfonyl group with a carboxylic acid functionality, offering versatility as a building block for drug discovery and chemical modifications. The sulfonamide moiety enhances binding interactions in biological systems, while the benzoic acid group allows for further derivatization. This compound is particularly useful in medicinal chemistry for designing enzyme inhibitors or receptor modulators due to its balanced polarity and reactivity. It is typically employed in small-scale research settings, where high purity and precise structural features are critical.
4-(pyrrolidine-1-sulfonyl)benzoic acid structure
19580-33-7 structure
Product Name:4-(pyrrolidine-1-sulfonyl)benzoic acid
CAS No:19580-33-7
MF:C11H13NO4S
MW:255.29022192955
MDL:MFCD00551820
CID:850713
Update Time:2025-06-07

4-(pyrrolidine-1-sulfonyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(1-pyrrolidinylsulfonyl)-
    • 4-(PYRROLIDINE-1-SULFONYL)-BENZOIC ACID
    • 4-(pyrrolidin-1-ylsulfonyl)benzoic acid
    • 4-(pyrrolidinylsulfonyl)benzoic acid
    • AC1LG1IL
    • CBDivE_003620
    • Oprea1_002049
    • Oprea1_194744
    • SureCN3350798
    • BUTTPARK 148\07-53
    • CHEMBRDG-BB 5156993
    • IFLAB-BB F0365-0027
    • 4-(pyrrolidine-1-sulfonyl)benzoic acid
    • MDL： MFCD00551820
    • Inchi： 1S/C11H13NO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14)
    • InChI Key： LTIXOYIZMIXNIK-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C(=O)O)=CC=1)(N1CCCC1)(=O)=O

Computed Properties

  • Exact Mass: 255.05659
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 74.68

4-(pyrrolidine-1-sulfonyl)benzoic acid Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

4-(pyrrolidine-1-sulfonyl)benzoic acid Pricemore >>

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Chemenu
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abcr
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4-(Pyrrolidin-1-ylsulfonyl)benzoic acid; 95%
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