The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM44725 |
|
|---|---|
6HO6 |
|
Code
GGK | |
|
Name |
4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
|
Molecular Weight |
384.39 |
|
Isomeric SMILES |
CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F |
|
Formula |
C13H15F3N2O4S2 |
|
Identifiers |
4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C13H15F3N2O4S2/c1-23(19,20)17-9-2-3-11-4-6-12(7-5-11)24(21,22)18-10-8-13(14,15)16/h4-7,17-18H,8-10H2,1H3 |
|
Atom Count |
39 |
|
InChIKey |
KTWYMVDMYCUUFA-UHFFFAOYSA-N |
|
PDB codes |
6HO6 |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
39 |
|
Aromatic Bond Count |
6 |
|
Leaving Atoms |
n/a |