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Chemical ID: 6541686
Chemical ID:
6541686
Name [?]:
N,N-bis(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILES [?]:
COCCN(CCOC)C(=O)c1cccc(c1)S(=O)(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C20H23F3N2O5S/c1-29-11-9-25(10-12-30-2)19(26)15-5-3-8-18(13-15)31(27,28)24-17-7-4-6-16(14-17)20(21,22)23/h3-8,13-14,24H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,14,24,13,25,23,15,4,6,3,7,17,27,12,26,22,16,10,28,29,30,31,21,5,11,19,20,2,8,18/E:(1,2)(9,10)(11,12)(21,22,23)(27,28)(29,30)/CRV:31.6/rA:31nCOCCNCCOCCOCCCCCCSOONCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23F3N2O5S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58398 |
Area: | 636.256 |
Solvation: | -7.32241 |
Coulombic: | -62.0648 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.31 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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