Chemical ID: 7261757

c1ccc(c(c1)NS(=O)(=O)c2ccccc2Br)Br
Chemical ID:
7261757
Name [?]:
2-bromo-N-(2-bromophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2ccccc2Br)Br
InChi [?]:
InChI=1/C12H9Br2NO2S/c13-9-5-1-3-7-11(9)15-18(16,17)12-8-4-2-6-10(12)14/h1-8,15H
InChi Info:
AuxInfo=1/0/N:2,14,1,13,3,15,6,12,4,16,5,11,18,17,7,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCNSOOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Br2NO2S
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.88581
Area:429.1
Solvation:-1.84168
Coulombic:-13.9611
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue