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Chemical ID: 5113129
Chemical ID:
5113129
Name [?]:
4-chloro-N-(2-chlorophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1Cl)S(=O)(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C13H11Cl2NO2S/c1-9-8-10(6-7-11(9)14)19(17,18)16-13-5-3-2-4-12(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,5,6,3,2,4,7,18,13,8,19,12,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCClSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.061 |
Area: | 466.618 |
Solvation: | -1.60442 |
Coulombic: | -14.7975 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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