ChemDB: Chemical Search
Download
Chemical ID: 4078648
Chemical ID:
4078648
Name [?]:
N-[[2-(trifluoromethoxy)phenyl]methyl]propane-2-sulfonamide
SMILES [?]:
CC(C)S(=O)(=O)NCc1ccccc1OC(F)(F)F
InChi [?]:
InChI=1/C11H14F3NO3S/c1-8(2)19(16,17)15-7-9-5-3-4-6-10(9)18-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,10,13,8,2,9,14,16,17,18,19,7,5,6,15,4/E:(1,2)(12,13,14)(16,17)/CRV:19.6/rA:19nCCCSOONCCCCCCCOCFFF/rB:s1;s2;s2;d4;d4;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14F3NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19707 |
Area: | 433.199 |
Solvation: | -2.63292 |
Coulombic: | -43.745 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.31 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|