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Chemical ID: 7087373
Chemical ID:
7087373
Name [?]:
N-[1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoro-methanesulfonamide
SMILES [?]:
c1ccc(cc1)C(C(c2ccccc2)NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChi [?]:
InChI=1/C16H14F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h1-10,13-14,23-24H
InChi Info:
AuxInfo=1/0/N:1,12,2,6,11,13,3,5,10,14,4,9,7,8,27,19,28,29,30,20,21,22,23,15,25,26,17,18,24,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18,19,20,21,22)(23,24)(25,26,27,28)(29,30)/CRV:29.6,30.6/rA:30cCCCCCCCCCCCCCCNSOOCFFFNSOOCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;d16;s16;s19;s19;s19;s7;s23;d24;d24;s24;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F6N2O4S2 |
All Atoms: | 44 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.9885 |
Area: | 548.069 |
Solvation: | -2.7132 |
Coulombic: | -76.2811 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 476.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.26 |
LogP (Chemaxon): | 5.5 |
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
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