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Home> Encyclopedia > Hot Product Listed 8   > 8-BENZENESULFONYL-6-(PYRIDIN-2-YLAMINO)-2,3-DIHYDRO-1H-INDOLIZIN-5-ONE
612065-29-9 structure

8-BENZENESULFONYL-6-(PYRIDIN-2-YLAMINO)-2,3-DIHYDRO-1H-INDOLIZIN-5-ONE

Iupac Name:8-(benzenesulfonyl)-6-(pyridin-2-ylamino)-2,3-dihydro-1H-indolizin-5-one
CAS No.:612065-29-9
Molecular Weight:367.423
Molecular Formula:C19H17N3O3S (isomer)
Names and Identifiers
Synonyms

8-(benzenesulfonyl)-6-(pyridin-2-ylamino)-2,3-dihydro-1h-ind 8-(benzenesulfonyl)-6-[(pyridin-2-yl)amino]-2,3-dihydroindolizin-5(1h)-one 8-(phenylsulfonyl)-6-(pyridin-2-ylamino)-2,3-dihydroindolizin-5(1h)-one AK396524 AKOS027381886 B66043 DTXSID30653043 HE361873 mfcd08437153 ZINC26896887

Inchi
InChI=1S/C19H17N3O3S/c23-19-15(21-18-10-4-5-11-20-18)13-17(16-9-6-12-22(16)19)26(24,25)14-7-2-1-3-8-14/h1-5,7-8,10-11,13H,6,9,12H2,(H,20,21)
InChkey
FZJCUQHHZLETRM-UHFFFAOYSA-N
Canonical Smiles
C1CC2=C(C=C(C(=O)N2C1)NC3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4
Properties
Density
1.45
Boiling Point
626.8°C at 760 mmHg
Refractive Index
1.701
Flash Point
332.9°C
Computational chemical data
  • Molecular Weight:367.423g/mol
  • Molecular Formula:C19H17N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:367.099
  • Monoisotopic Mass:367.099
  • Complexity:730
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:87.8A^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: AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8QIAAAAAAAEABwAAAHgQQAAAACAjB0gQ9sZPIEAqo ADd3dHDCgCkxCjAJ2Di4ZNiIYOLgmbGUIAholgLoyacQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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