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Chemical ID: 6408106
Chemical ID:
6408106
Name [?]:
N-(5-bromo-2-fluoro-phenyl)-2,5-dichloro-benzenesulfonamide
SMILES [?]:
c1cc(c(cc1Cl)S(=O)(=O)Nc2cc(ccc2F)Br)Cl
InChi [?]:
InChI=1/C12H7BrCl2FNO2S/c13-7-1-4-10(16)11(5-7)17-20(18,19)12-6-8(14)2-3-9(12)15/h1-6,17H
InChi Info:
AuxInfo=1/0/N:15,1,2,16,13,5,14,6,3,17,12,4,19,7,20,18,11,9,10,8/E:(18,19)/CRV:20.6/rA:20nCCCCCCClSOONCCCCCCFBrCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7BrCl2FNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74981 |
Area: | 463.15 |
Solvation: | -2.82894 |
Coulombic: | -16.4159 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 399.063 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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