Chemical ID: 4078648

CC(C)S(=O)(=O)NCc1ccccc1OC(F)(F)F
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

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