ChemDB: Chemical Search
Download
Chemical ID: 7369824
Chemical ID:
7369824
Name [?]:
2,6-dichloro-N-(4-chloro-2-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)S(=O)(=O)Nc2ccc(cc2F)Cl)Cl
InChi [?]:
InChI=1/C12H7Cl3FNO2S/c13-7-4-5-11(10(16)6-7)17-20(18,19)12-8(14)2-1-3-9(12)15/h1-6,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,16,15,3,5,17,12,4,19,20,7,18,11,9,10,8/E:(2,3)(8,9)(14,15)(18,19)/CRV:20.6/rA:20nCCCCCCClSOONCCCCCCFClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7Cl3FNO2S |
All Atoms: | 27 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6055 |
Area: | 451.1 |
Solvation: | -2.672 |
Coulombic: | -17.1006 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 354.612 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.3 |
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 |
---|