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Chemical ID: 4368622
Chemical ID:
4368622
Name [?]:
2,4,5-trichloro-N-(4-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
Cc1ccnc(c1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C12H9Cl3N2O2S/c1-7-2-3-16-12(4-7)17-20(18,19)11-6-9(14)8(13)5-10(11)15/h2-6H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,16,13,2,15,14,17,12,6,19,20,18,5,8,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCNCCNSOOCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Cl3N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57327 |
Area: | 489.361 |
Solvation: | -2.66077 |
Coulombic: | -16.6245 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 351.636 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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