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N-(2-fluoro-4-sulfamoylphenyl)acetamide structure

N-(2-fluoro-4-sulfamoylphenyl)acetamide

  • CAS:402-22-2
  • MW:232.23
  • MF:C8H9FN2O3S
 
1. Names and Identifiers
1.1 Name
N-(2-fluoro-4-sulfamoylphenyl)acetamide
1.2 Synonyms
[402-22-2]; Acetamide, N-[4-(aminosulfonyl)-2-fluorophenyl]-; acetamide,n-[4-(aminosulfonyl)-2-fluorophenyl]-; MFCD11101504; N-(2-Fluoro-4-sulfamoyl-phenyl)-acetamide;
1.3 CAS No.
402-22-2
1.4 CID
23644664
1.5 Molecular Formula
C8H9FN2O3S
1.6 Inchi
InChI=1S/C8H9FN2O3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)(H2,10,13,14)
1.7 InChkey
YTHYXJIVXIFMCE-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)F
1.9 Isomers Smiles
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)F
2. Synthesis Route
402-22-2Total: 3 Synthesis Route
 
349-71-3
349-71-3 2 Suppliers
 
402-22-2
402-22-2 2 Suppliers
 
348-54-9
348-54-9 166 Suppliers
 
402-22-2
402-22-2 2 Suppliers
3. Precursor and Product
precursor:
product:
4. Computed Properties
  • Molecular Weight:232.23g/mol
  • Molecular Formula:C8H9FN2O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:232.03179149
  • Monoisotopic Mass:232.03179149
  • Complexity:338
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:97.6
  • Heavy Atom Count::15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBzMQBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwQQQAAACAiB0AgywYLAAAKIACVSUHDCABAhAgAIiBgAZIgIICLAkZGEIAhglADIyAcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==
5. Toltal 2 Suppliers View more
Tel: Update Time:2019/03/29
Tel: Update Time:2019/02/25
6. Realated Product Infomation
 
 
 
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