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Chemical ID: 4239340
Chemical ID:
4239340
Name [?]:
2,6-dichloro-N-(3,4-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C14H13Cl2NO2S/c1-9-6-7-11(8-10(9)2)17-20(18,19)14-12(15)4-3-5-13(14)16/h3-8,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,3,4,6,2,7,5,14,18,13,20,19,9,11,12,10/E:(4,5)(12,13)(15,16)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13Cl2NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38505 |
Area: | 456.745 |
Solvation: | -2.03357 |
Coulombic: | -13.5072 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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