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Home> Encyclopedia > Hot Product Listed T   > T6506952
1197670-14-6 structure

T6506952

Iupac Name:N-[3-chloro-4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CAS No.:1197670-14-6
Molecular Weight:399.865
Molecular Formula:C17H19ClFN3O3S (isomer)
Names and Identifiers
Synonyms

MCULE-1080000910 MOLPORT-009-337-848 n-[3-chloro-4-(dimethylamino)phenyl]-2-(n-methyl4-fluorobenzenesulfonamido)acetamide Z605703736 ZINC40152528

Inchi
InChI=1S/C17H19ClFN3O3S/c1-21(2)16-9-6-13(10-15(16)18)20-17(23)11-22(3)26(24,25)14-7-4-12(19)5-8-14/h4-10H,11H2,1-3H3,(H,20,23)
InChkey
WCYVRXRCAUOHKG-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)Cl
Computational chemical data
  • Molecular Weight:399.865g/mol
  • Molecular Formula:C17H19ClFN3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:399.082
  • Monoisotopic Mass:399.082
  • Complexity:576
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:78.1A^2
  • Heavy Atom Count:26
  • 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: AAADceB7MQBEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwYQQAAACArB0CwywYPAAAKI ACVSUHDCABAhBwAIiBiIZogIYCLBk7HUIAhglADIyAcQAAAAAACAAAIAABAAAQAABAAAIAAAAAAA AA==
 
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