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Chemical ID: 7045939
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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