Chemical ID: 6828355

CC(c1ccccc1)NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c3ccccc3
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

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Experimental Annotations

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Descriptor Annotations

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