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Chemical ID: 6828355
Chemical ID:
6828355
Name [?]:
N-(1-phenylethyl)-2-[phenylsulfonyl-[3-(trifluoromethyl)phenyl]-amino]-acetamide
SMILES [?]:
CC(c1ccccc1)NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C23H21F3N2O3S/c1-17(18-9-4-2-5-10-18)27-22(29)16-28(32(30,31)21-13-6-3-7-14-21)20-12-8-11-19(15-20)23(24,25)26/h2-15,17H,16H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,6,30,5,7,29,31,16,4,8,17,15,28,32,19,12,2,3,18,14,27,10,20,21,22,23,9,13,11,25,26,24/E:(4,5)(6,7)(9,10)(13,14)(24,25,26)(30,31)/CRV:32.6/rA:32cCCCCCCCCNCOCNCCCCCCCFFFSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s13;d24;d24;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21F3N2O3S |
All Atoms: | 53 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.6455 |
Area: | 628.286 |
Solvation: | -4.06162 |
Coulombic: | -50.1701 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 462.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.61 |
LogP (Chemaxon): | 4.85 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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