Chemical ID: 6385487

c1cc(c(c(c1)Cl)Cl)NS(=O)(=O)c2ccc(cc2)Br
Chemical ID:
6385487
Name [?]:
4-bromo-N-(2,3-dichlorophenyl)-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NS(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C12H8BrCl2NO2S/c13-8-4-6-9(7-5-8)19(17,18)16-11-3-1-2-10(14)12(11)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:1,6,2,15,17,14,18,16,13,5,3,4,19,7,8,9,11,12,10/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCClClNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8BrCl2NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1603
Area:473.815
Solvation:-1.68509
Coulombic:-14.4829
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:381.073
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):4.44

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