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Chemical ID: 3992302
Chemical ID:
3992302
Name [?]:
3-amino-N-(2-bromo-5-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cccc(c2)N)Br
InChi [?]:
InChI=1/C13H13BrN2O2S/c1-9-5-6-12(14)13(7-9)16-19(17,18)11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,3,4,7,17,2,16,12,5,6,19,18,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCNBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13BrN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49723 |
Area: | 450.975 |
Solvation: | -1.77714 |
Coulombic: | -29.7838 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.225 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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