Cas no 333787-87-4 (1-[4-(azepane-1-sulfonyl)phenyl]ethan-1-one)

1-[4-(azepane-1-sulfonyl)phenyl]ethan-1-one structure
333787-87-4 structure
Product Name:1-[4-(azepane-1-sulfonyl)phenyl]ethan-1-one
CAS No:333787-87-4
MF:C14H19NO3S
MW:281.370562791824
CID:2120107
PubChem ID:864331
Update Time:2025-04-21

1-[4-(azepane-1-sulfonyl)phenyl]ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-(azepan-1-ylsulfonyl)phenyl)ethanone
    • 1-[4-(azepane-1-sulfonyl)phenyl]ethan-1-one
    • NS-04633
    • ASN 02992792
    • 333787-87-4
    • CS-0221032
    • Z45507341
    • AKOS000117867
    • 1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone
    • EN300-08181
    • SCHEMBL26313603
    • G25817
    • DA-06756
    • Inchi: 1S/C14H19NO3S/c1-12(16)13-6-8-14(9-7-13)19(17,18)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
    • InChI Key: LMPSEMSLAWCSGJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(C)=O)=CC=1)(N1CCCCCC1)(=O)=O

Computed Properties

  • Exact Mass: 281.10856464g/mol
  • Monoisotopic Mass: 281.10856464g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 397
  • 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
  • Topological Polar Surface Area: 62.8?2

1-[4-(azepane-1-sulfonyl)phenyl]ethan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B408943-25mg
1-[4-(Azepane-1-sulfonyl)phenyl]ethan-1-one
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$ 50.00 2022-06-07
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