Chemical ID: 6475397

c1ccc(c(c1)F)S(=O)(=O)Nc2ccc(cc2F)Br
Chemical ID:
6475397
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-2-fluoro-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)Nc2ccc(cc2F)Br
InChi [?]:
InChI=1/C12H8BrF2NO2S/c13-8-5-6-11(10(15)7-8)16-19(17,18)12-4-2-1-3-9(12)14/h1-7,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,13,16,15,5,17,12,4,19,7,18,11,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCFSOONCCCCCCFBr/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8BrF2NO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.59262
Area:419.407
Solvation:-2.89255
Coulombic:-20.7097
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:348.164
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):3.68

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