Chemical ID: 7045939

Cc1ccc(c(c1)NS(=O)(=O)c2cc(c(nc2)Cl)Br)C
Chemical ID:
7045939
Name [?]:
5-bromo-6-chloro-N-(2,5-dimethylphenyl)-pyridine-3-sulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(c(nc2)Cl)Br)C
InChi [?]:
InChI=1/C13H12BrClN2O2S/c1-8-3-4-9(2)12(5-8)17-20(18,19)10-6-11(14)13(15)16-7-10/h3-7,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,4,7,13,17,2,5,12,14,6,15,19,18,16,8,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCCNSOOCCCCNCClBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12BrClN2O2S
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1038
Area:477.993
Solvation:-1.84608
Coulombic:-18.1805
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:375.669
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):3.91

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