ChemDB: Chemical Search
Download
Chemical ID: 4250510
Chemical ID:
4250510
Name [?]:
4-fluoro-N-(4-iodophenyl)-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1S(=O)(=O)Nc2ccc(cc2)I)F
InChi [?]:
InChI=1/C13H11FINO2S/c1-9-8-10(14)2-7-13(9)19(17,18)16-12-5-3-11(15)4-6-12/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,14,16,13,17,6,3,2,4,15,12,7,19,18,11,9,10,8/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCIF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11FINO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83304 |
Area: | 455.091 |
Solvation: | -2.54424 |
Coulombic: | -16.6251 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 391.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.21 |
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 |
---|