TC-E 5003

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 87052
Molecular Formula

C16H14Cl2N2O4S

SMILES

C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl

InChI

InChI=1S/C16H14Cl2N2O4S/c17-9-15(21)19-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)

synonyms
  • 17328-16-4
  • TC-E 5003
  • Sulfone, bis((4-chloroacetylamino)phenyl)
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Properties
Property Value
MW 401.3 g/mol
HBD 2
HBA 4
Rotatable Bond Count 6
Exact Mass 400.0051335 g/mol
Monoisotopic Mass 400.0051335 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 519
xlogp 2.3
Topological Polar Surface Area 101