ChemDB: Chemical Search
Download
Chemical ID: 4953050
Chemical ID:
4953050
Name [?]:
4-amino-N-(2,6-dibromo-4-tert-butyl-phenyl)-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)Br)NS(=O)(=O)c2ccc(cc2)N)Br
InChi [?]:
InChI=1/C16H18Br2N2O2S/c1-16(2,3)10-8-13(17)15(14(18)9-10)20-23(21,22)12-6-4-11(19)5-7-12/h4-9,20H,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,20,17,21,6,10,5,19,16,7,9,8,2,23,11,22,12,14,15,13/E:(1,2,3)(4,5)(6,7)(8,9)(13,14)(17,18)(21,22)/CRV:23.6/rA:23nCCCCCCCCCCBrNSOOCCCCCCNBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18Br2N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9043 |
Area: | 518.054 |
Solvation: | -2.04701 |
Coulombic: | -30.0088 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 462.2 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 4.81 |
LogP (Chemaxon): | 5.04 |
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 |
---|