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Chemical ID: 4240667
Chemical ID:
4240667
Name [?]:
4-chloro-N-(o-tolyl)-3-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H11ClF3NO2S/c1-9-4-2-3-5-13(9)19-22(20,21)10-6-7-12(15)11(8-10)14(16,17)18/h2-8,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,13,14,17,2,12,16,15,7,18,22,19,20,21,8,10,11,9/E:(16,17,18)(20,21)/CRV:22.6/rA:22nCCCCCCCNSOOCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClF3NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09844 |
Area: | 474.916 |
Solvation: | -2.77445 |
Coulombic: | -31.0035 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 349.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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