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Chemical ID: 7262199
Chemical ID:
7262199
Name [?]:
3-cyano-N-(2-fluorophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)C#N)F
InChi [?]:
InChI=1/C13H9FN2O2S/c14-12-6-1-2-7-13(12)16-19(17,18)11-5-3-4-10(8-11)9-15/h1-8,16H
InChi Info:
AuxInfo=1/0/N:2,1,13,14,12,3,6,16,17,15,11,4,5,19,18,7,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCNSOOCCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;t17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9FN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9845 |
Area: | 435.969 |
Solvation: | -2.91471 |
Coulombic: | -20.3916 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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