The Biofilms Structural Database
Name
4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Molecular Weight
446.46
Isomeric SMILES
c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
Formula
C18H17F3N2O4S2
Identifiers
Formal Charge
0
InChI
InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2
Atom Count
46
InChIKey
YOHZJJJIFGXOPP-UHFFFAOYSA-N
PDB codes
6HO3
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
47
Aromatic Bond Count
12
Leaving Atoms