ChemDB: Chemical Search
Download
Chemical ID: 7364218
Chemical ID:
7364218
Name [?]:
N-(4-bromo-2-chloro-phenyl)-4-fluoro-benzenesulfonamide
SMILES [?]:
c1cc(ccc1F)S(=O)(=O)Nc2ccc(cc2Cl)Br
InChi [?]:
InChI=1/C12H8BrClFNO2S/c13-8-1-6-12(11(14)7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H
InChi Info:
AuxInfo=1/0/N:14,1,5,2,4,13,16,15,6,3,17,12,19,18,7,11,9,10,8/E:(2,3)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCFSOONCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8BrClFNO2S |
All Atoms: | 27 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75145 |
Area: | 453.064 |
Solvation: | -2.57514 |
Coulombic: | -16.8315 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 364.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.06 |
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 |
---|