Cas no 329932-88-9 (3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid)

3-[(4-Phenylpiperazin-1-yl)sulfonyl]benzoic acid is a sulfonamide-based benzoic acid derivative featuring a phenylpiperazine moiety. This compound exhibits potential as a versatile intermediate in medicinal chemistry, particularly in the development of biologically active molecules targeting neurological and cardiovascular systems. Its structural characteristics—a sulfonyl linker connecting a benzoic acid core to a phenylpiperazine group—impart favorable physicochemical properties, including balanced lipophilicity and hydrogen-bonding capacity, which may enhance membrane permeability and target engagement. The benzoic acid functionality allows for further derivatization, enabling the synthesis of amides, esters, or metal-coordinating complexes. This compound is of interest in structure-activity relationship (SAR) studies for optimizing ligand-receptor interactions, particularly in GPCR-related research. Its purity and stability under standard laboratory conditions make it suitable for exploratory synthetic applications.
3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid structure
329932-88-9 structure
Product Name:3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid
CAS No:329932-88-9
MF:C17H18N2O4S
MW:346.400823116302
CID:2113345
PubChem ID:690611
Update Time:2025-07-02

3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[(4-phenyl-1-piperazinyl)sulfonyl]Benzoic acid
    • 3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid
    • 329932-88-9
    • Oprea1_472380
    • CS-0218294
    • MFCD01197461
    • G42931
    • 3-(4-Phenyl-piperazine-1-sulfonyl)-benzoic acid
    • AG-690/13703660
    • DA-24534
    • Z45618659
    • AKOS000114920
    • 3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoicacid
    • EN300-00530
    • 3-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
    • Oprea1_109077
    • HMS1761D07
    • Inchi： 1S/C17H18N2O4S/c20-17(21)14-5-4-8-16(13-14)24(22,23)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,20,21)
    • InChI Key： XPDAYARHVAIRCS-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=C(C(=O)O)C=1)(N1CCN(C2C=CC=CC=2)CC1)(=O)=O

Computed Properties

  • Exact Mass: 346.09872823Da
  • Monoisotopic Mass: 346.09872823Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 531
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 86.3?2

3-[(4-phenylpiperazin-1-yl)sulfonyl]benzoic acid Pricemore >>

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