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Chemical ID: 7020357
Chemical ID:
7020357
Name [?]:
N-[2-ethylamino-5-(trifluoromethylsulfonyl)phenyl]-2-methyl-benzamide
SMILES [?]:
CCNc1ccc(cc1NC(=O)c2ccccc2C)S(=O)(=O)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3N2O3S/c1-3-21-14-9-8-12(26(24,25)17(18,19)20)10-15(14)22-16(23)13-7-5-4-6-11(13)2/h4-10,21H,3H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,2,16,15,17,14,6,5,8,18,7,13,4,9,11,23,24,25,26,3,10,12,21,22,20/E:(18,19,20)(24,25)/CRV:26.6/rA:26nCCNCCCCCCNCOCCCCCCCSOOCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s7;d20;d20;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F3N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0104 |
Area: | 550.868 |
Solvation: | -2.76127 |
Coulombic: | -61.698 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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