ChemDB: Chemical Search
Download
Chemical ID: 7254524
Chemical ID:
7254524
Name [?]:
4-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILES [?]:
CN(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C16H16F3NO3S/c1-20(11-12-3-5-13(6-4-12)16(17,18)19)24(21,22)15-9-7-14(23-2)8-10-15/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,5,9,6,8,19,21,18,22,3,4,7,20,17,10,11,12,13,2,15,16,23,14/E:(3,4)(5,6)(7,8)(9,10)(17,18,19)(21,22)/CRV:24.6/rA:24cCNCCCCCCCCFFFSOOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s10;s2;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16F3NO3S |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.6779 |
Area: | 515.715 |
Solvation: | -4.21497 |
Coulombic: | -34.3319 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.58 |
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 |
---|