Chemical ID: 4077401

Cc1ccc(cc1NS(=O)(=O)c2ccccc2Br)Br
Chemical ID:
4077401
Name [?]:
2-bromo-N-(5-bromo-2-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1NS(=O)(=O)c2ccccc2Br)Br
InChi [?]:
InChI=1/C13H11Br2NO2S/c1-9-6-7-10(14)8-12(9)16-19(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,3,4,6,2,5,17,7,12,19,18,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Br2NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.33198
Area:444.774
Solvation:-1.78737
Coulombic:-13.5649
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:405.106
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):4.66

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