Chemical ID: 7248192

Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2Br)Br
Chemical ID:
7248192
Name [?]:
2,5-dibromo-N-(2,3-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2Br)Br
InChi [?]:
InChI=1/C14H13Br2NO2S/c1-9-4-3-5-13(10(9)2)17-20(18,19)14-8-11(15)6-7-12(14)16/h3-8,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,16,17,14,2,7,15,18,6,13,20,19,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Br2NO2S
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.89729
Area:472.917
Solvation:-1.92564
Coulombic:-12.9057
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:419.133
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):5.13

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