ChemDB: Chemical Search
Download
Chemical ID: 4679014
Chemical ID:
4679014
Name [?]:
3,4-dichloro-N-(2-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
COc1ccccc1NS(=O)(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO3S/c1-19-13-5-3-2-4-12(13)16-20(17,18)9-6-7-10(14)11(15)8-9/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,14,15,18,13,16,17,8,3,20,19,9,11,12,2,10/E:(17,18)/CRV:20.6/rA:20nCOCCCCCCNSOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20882 |
Area: | 484.539 |
Solvation: | -2.90467 |
Coulombic: | -21.2276 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|