ChemDB: Chemical Search
Download
Chemical ID: 4080746
Chemical ID:
4080746
Name [?]:
3-chloro-N-(2,4-difluorophenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C13H10ClF2NO2S/c1-8-2-4-10(7-11(8)14)20(18,19)17-13-5-3-9(15)6-12(13)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,15,4,14,17,6,2,16,5,7,18,13,8,20,19,12,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCCClSOONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClF2NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99008 |
Area: | 448.466 |
Solvation: | -3.22157 |
Coulombic: | -19.8461 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.87 |
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 |
---|