Chemical ID: 7259952

Cc1cccc(n1)NS(=O)(=O)c2ccc(c(c2)C)Br
Chemical ID:
7259952
Name [?]:
4-bromo-3-methyl-N-(6-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
Cc1cccc(n1)NS(=O)(=O)c2ccc(c(c2)C)Br
InChi [?]:
InChI=1/C13H13BrN2O2S/c1-9-8-11(6-7-12(9)14)19(17,18)16-13-5-3-4-10(2)15-13/h3-8H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:18,1,4,3,5,13,14,17,16,2,12,15,6,19,7,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCNNSOOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13BrN2O2S
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.77211
Area:446.69
Solvation:-2.39515
Coulombic:-17.1042
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.225
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):2.68

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