Chemical ID: 5603154

c1ccc(c(c1)NS(=O)(=O)c2cccc(c2Cl)Cl)Br
Chemical ID:
5603154
Name [?]:
N-(2-bromophenyl)-2,3-dichloro-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2cccc(c2Cl)Cl)Br
InChi [?]:
InChI=1/C12H8BrCl2NO2S/c13-8-4-1-2-6-10(8)16-19(17,18)11-7-3-5-9(14)12(11)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,1,13,3,14,6,12,4,15,5,11,16,19,18,17,7,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCNSOOCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8BrCl2NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.41542
Area:458.452
Solvation:-2.04589
Coulombic:-13.7827
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