Chemical ID: 6353080

Cc1ccc(c(c1)Br)NS(=O)(=O)c2ccc(cc2)Br
Chemical ID:
6353080
Name [?]:
4-bromo-N-(2-bromo-4-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)Br)NS(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C13H11Br2NO2S/c1-9-2-7-13(12(15)8-9)16-19(17,18)11-5-3-10(14)4-6-11/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,15,17,14,18,4,7,2,16,13,6,5,19,8,9,11,12,10/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCBrNSOOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Br2NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0699
Area:465.51
Solvation:-1.56788
Coulombic:-14.0176
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:4.75
LogP (Chemaxon):4.66

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