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Chemical ID: 6415444
Chemical ID:
6415444
Name [?]:
N-(3,5-dimethylphenyl)-2-[phenylsulfonyl-[3-(trifluoromethyl)phenyl]-amino]-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c3ccccc3)C
InChi [?]:
InChI=1/C23H21F3N2O3S/c1-16-11-17(2)13-19(12-16)27-22(29)15-28(32(30,31)21-9-4-3-5-10-21)20-8-6-7-18(14-20)23(24,25)26/h3-14H,15H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,32,29,28,30,15,16,14,27,31,3,7,5,18,11,2,4,17,6,13,26,9,19,20,21,22,8,12,10,24,25,23/E:(1,2)(4,5)(9,10)(12,13)(16,17)(24,25,26)(30,31)/CRV:32.6/rA:32cCCCCCCCNCOCNCCCCCCCFFFSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s12;d23;d23;s23;s26;d27;s28;d29;d26s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21F3N2O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6268 |
Area: | 630.028 |
Solvation: | -4.12386 |
Coulombic: | -48.2602 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 462.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.81 |
LogP (Chemaxon): | 5.75 |
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.
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