[Synonyms]
MLS000110142
ZINC00880086
BAS 02810322
SMR000106074
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]-methylsulfonylamino]-N-(furan-2-
ylmethyl)acetamide
Canonical SMILES: CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC(=C(C=C2)Cl)C(F)(F)F
InChI: InChI=1/C15H14ClF3N2O4S/c1-26(23,
24)21(9-14(22)20-8-11-3-2-6-25-11)10-4-5-13(16)12(7-10)15(17,
18)19/h2-7H,8-9H2,1H3,(H,20,22)/f/h20H
MLS000110142
ZINC00880086
BAS 02810322
SMR000106074
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 410.79587 [g/mol] |
| Molecular Formula | C15H14ClF3N2O4S |
| XLogP | 3 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 8 |
| Rotatable Bond Count | 6 |
| Tautomer Count | 2 |
| Exact Mass | 410.03149 |
| MonoIsotopic Mass | 410.03149 |
| Topological Polar Surface Area | 79.6 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 597 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]-methylsulfonylamino]-N-(furan-2-
ylmethyl)acetamide
Canonical SMILES: CS(=O)(=O)N(CC(=O)NCC1=CC=CO1)C2=CC(=C(C=C2)Cl)C(F)(F)F
InChI: InChI=1/C15H14ClF3N2O4S/c1-26(23,
24)21(9-14(22)20-8-11-3-2-6-25-11)10-4-5-13(16)12(7-10)15(17,
18)19/h2-7H,8-9H2,1H3,(H,20,22)/f/h20H
