ChemDB: Chemical Search
Download
Chemical ID: 7299103
Chemical ID:
7299103
Name [?]:
2-bromo-N-(3-chloro-2-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1c(cccc1Cl)NS(=O)(=O)c2ccccc2Br
InChi [?]:
InChI=1/C13H11BrClNO2S/c1-9-11(15)6-4-7-12(9)16-19(17,18)13-8-3-2-5-10(13)14/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,5,17,6,4,14,2,18,7,3,13,19,8,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCClNSOOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11BrClNO2S |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44301 |
Area: | 452.539 |
Solvation: | -1.87046 |
Coulombic: | -13.9612 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 360.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.38 |
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 |
---|