Cas no 2417-42-7 (N-(3-Acetylphenyl)methanesulfonamide)

N-(3-Acetylphenyl)methanesulfonamide is a sulfonamide derivative characterized by the presence of an acetyl group at the meta position of the phenyl ring. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its potential as an intermediate in the development of bioactive molecules. The methanesulfonamide moiety enhances its utility in medicinal chemistry, particularly in the design of enzyme inhibitors or receptor modulators. Its well-defined structure and reactivity make it suitable for further functionalization, enabling the synthesis of more complex derivatives. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for research applications.
N-(3-Acetylphenyl)methanesulfonamide structure
2417-42-7 structure
Product Name:N-(3-Acetylphenyl)methanesulfonamide
CAS No:2417-42-7
MF:C9H11NO3S
MW:213.253541231155
MDL:MFCD00664903
CID:1077039
PubChem ID:706824
Update Time:2025-05-27

N-(3-Acetylphenyl)methanesulfonamide Chemical and Physical Properties

Names and Identifiers

    • N-(3-Acetylphenyl)methanesulfonamide
    • 1-(3-methylsulfonylamino)phenylethanone
    • 1-[3-(N-methylsulfonylamino)]phenylethanone
    • 1-[3-[(methylsulfonyl)amino]phenyl]ethanone
    • 1-[3-[N-(methylsulfonyl)amino]phenyl]ethanone
    • 3'-(methylsulfonylamino)acetophenone
    • 3'-acetylmethanesulfonanilide
    • AC1LE5RR
    • AC1Q1JN0
    • CTK0J5170
    • HMS2605O03
    • SureCN334530
    • DB-417883
    • AKOS000191731
    • EN300-69844
    • N-(3-Acetyl-phenyl)-methanesulfonamide
    • Z45682895
    • G29857
    • SR-01000410273-1
    • EU-0069280
    • SCHEMBL334530
    • CS-0117024
    • CHEMBL1568709
    • 6K-666S
    • ALBB-002988
    • STK411569
    • MLS000685552
    • DTXSID60351681
    • SR-01000410273
    • SB78971
    • MFCD00664903
    • 2417-42-7
    • AB00028841-01
    • BBL013999
    • SMR000312516
    • MDL: MFCD00664903
    • Inchi: 1S/C9H11NO3S/c1-7(11)8-4-3-5-9(6-8)10-14(2,12)13/h3-6,10H,1-2H3
    • InChI Key: UTNQCUWLQFFFSL-UHFFFAOYSA-N
    • SMILES: S(C)(NC1C=CC=C(C(C)=O)C=1)(=O)=O

Computed Properties

  • Exact Mass: 213.04603
  • Monoisotopic Mass: 213.04596439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 305
  • 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: 1.6
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • PSA: 63.24

N-(3-Acetylphenyl)methanesulfonamide Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

N-(3-Acetylphenyl)methanesulfonamide Pricemore >>

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