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Chemical ID: 5786130
Chemical ID:
5786130
Name [?]:
4-methyl-N-(2,4,5-trichlorophenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H10Cl3NO2S/c1-8-2-4-9(5-3-8)20(18,19)17-13-7-11(15)10(14)6-12(13)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,16,13,2,5,15,14,17,12,19,20,18,11,9,10,8/E:(2,3)(4,5)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl3NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6448 |
Area: | 495.875 |
Solvation: | -1.75208 |
Coulombic: | -14.1538 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 350.648 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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