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Chemical ID: 7248192
Chemical ID:
7248192
Name [?]:
2,5-dibromo-N-(2,3-dimethylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1C)NS(=O)(=O)c2cc(ccc2Br)Br
InChi [?]:
InChI=1/C14H13Br2NO2S/c1-9-4-3-5-13(10(9)2)17-20(18,19)14-8-11(15)6-7-12(14)16/h3-8,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,16,17,14,2,7,15,18,6,13,20,19,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13Br2NO2S |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89729 |
Area: | 472.917 |
Solvation: | -1.92564 |
Coulombic: | -12.9057 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 419.133 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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