ChemDB: Chemical Search
Download
Chemical ID: 4262678
Chemical ID:
4262678
Name [?]:
4-bromo-N-(2-bromophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)Br)Br
InChi [?]:
InChI=1/C12H9Br2NO2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,13,15,12,16,14,11,4,5,17,18,7,9,10,8/E:(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCNSOOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Br2NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49177 |
Area: | 442.912 |
Solvation: | -1.58102 |
Coulombic: | -14.2327 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 391.079 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.19 |
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 |
---|