Chemical ID: 4239340

Cc1ccc(cc1C)NS(=O)(=O)c2c(cccc2Cl)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue