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Chemical ID: 7265289
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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