Chemical ID: 7265289

c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2F)Br)C#N
Chemical ID:
7265289
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-3-cyano-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2F)Br)C#N
InChi [?]:
InChI=1/C13H8BrFN2O2S/c14-10-4-5-13(12(15)7-10)17-20(18,19)11-3-1-2-9(6-11)8-16/h1-7,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,4,15,19,3,14,5,16,11,18,17,20,10,8,9,7/E:(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCFBrCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;s3;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8BrFN2O2S
All Atoms:28
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.81303
Area:469.051
Solvation:-2.91326
Coulombic:-19.6746
Bond Count [?]
All:21
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:355.183
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.35

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Descriptor Annotations

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