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Chemical ID: 6353080
Chemical ID:
6353080
Name [?]:
4-bromo-N-(2-bromo-4-methyl-phenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)Br)NS(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C13H11Br2NO2S/c1-9-2-7-13(12(15)8-9)16-19(17,18)11-5-3-10(14)4-6-11/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,15,17,14,18,4,7,2,16,13,6,5,19,8,9,11,12,10/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCBrNSOOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Br2NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0699 |
Area: | 465.51 |
Solvation: | -1.56788 |
Coulombic: | -14.0176 |
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: | 4.75 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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