ChemDB: Chemical Search
Download
Chemical ID: 6607132
Chemical ID:
6607132
Name [?]:
2,5-dibromo-N-(4-hydroxyphenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1NS(=O)(=O)c2cc(ccc2Br)Br)O
InChi [?]:
InChI=1/C12H9Br2NO3S/c13-8-1-6-11(14)12(7-8)19(17,18)15-9-2-4-10(16)5-3-9/h1-7,15-16H
InChi Info:
AuxInfo=1/0/N:14,1,5,2,4,15,12,13,6,3,16,11,18,17,7,19,9,10,8/E:(2,3)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCNSOOCCCCCCBrBrO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Br2NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59463 |
Area: | 451.916 |
Solvation: | -2.70328 |
Coulombic: | -28.3577 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 407.079 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.91 |
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 |
---|