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Chemical ID: 4077401
Chemical ID:
4077401
Name [?]:
2-bromo-N-(5-bromo-2-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1NS(=O)(=O)c2ccccc2Br)Br
InChi [?]:
InChI=1/C13H11Br2NO2S/c1-9-6-7-10(14)8-12(9)16-19(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,3,4,6,2,5,17,7,12,19,18,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Br2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33198 |
Area: | 444.774 |
Solvation: | -1.78737 |
Coulombic: | -13.5649 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 405.106 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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