ChemDB: Chemical Search
Download
Chemical ID: 4447368
Chemical ID:
4447368
Name [?]:
2,4-dichloro-N-(4-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO3S/c1-19-11-5-3-10(4-6-11)16-20(17,18)13-7-2-9(14)8-12(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,5,7,4,8,14,17,16,6,3,18,13,20,19,9,11,12,2,10/E:(3,4)(5,6)(17,18)/CRV:20.6/rA:20nCOCCCCCCNSOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75992 |
Area: | 480.551 |
Solvation: | -3.25386 |
Coulombic: | -19.9969 |
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 |
---|