Chemical ID: 6322661

c1cc(ccc1S(=O)(=O)Nc2ccc(cc2F)Br)Br
Chemical ID:
6322661
Name [?]:
4-bromo-N-(4-bromo-2-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Nc2ccc(cc2F)Br)Br
InChi [?]:
InChI=1/C12H8Br2FNO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(14)7-11(12)15/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,4,13,1,5,12,15,3,14,6,16,11,19,18,17,10,8,9,7/E:(1,2)(4,5)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCFBrBr/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8Br2FNO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.08712
Area:456.529
Solvation:-2.3261
Coulombic:-17.1767
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:409.07
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):4.33

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