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Chemical ID: 6469500
Chemical ID:
6469500
Name [?]:
N-butyl-2-[[4-chloro-3-(trifluoromethyl)phenyl]-phenylsulfonyl-amino]-acetamide
SMILES [?]:
CCCCNC(=O)CN(c1ccc(c(c1)C(F)(F)F)Cl)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C19H20ClF3N2O3S/c1-2-3-11-24-18(26)13-25(29(27,28)15-7-5-4-6-8-15)14-9-10-17(20)16(12-14)19(21,22)23/h4-10,12H,2-3,11,13H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,26,28,25,29,11,12,4,15,8,10,24,14,13,6,16,20,17,18,19,5,9,7,22,23,21/E:(5,6)(7,8)(21,22,23)(27,28)/CRV:29.6/rA:29cCCCCNCOCNCCCCCCCFFFClSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s13;s9;d21;d21;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClF3N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5061 |
Area: | 614.132 |
Solvation: | -3.84721 |
Coulombic: | -48.2712 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 448.888 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.35 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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