Chemical ID: 6408106

c1cc(c(cc1Cl)S(=O)(=O)Nc2cc(ccc2F)Br)Cl
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

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Descriptor Annotations

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