Chemical ID: 4074354

c1ccc(c(c1)S(=O)(=O)Nc2ccc(cc2Br)F)Br
Chemical ID:
4074354
Name [?]:
2-bromo-N-(2-bromo-4-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)Nc2ccc(cc2Br)F)Br
InChi [?]:
InChI=1/C12H8Br2FNO2S/c13-9-3-1-2-4-12(9)19(17,18)16-11-6-5-8(15)7-10(11)14/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,13,12,15,14,4,16,11,5,19,17,18,10,8,9,7/E:(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCBrFBr/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8Br2FNO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.21063
Area:438.4
Solvation:-2.74938
Coulombic:-16.2698
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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Descriptor Annotations

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