Chemical ID: 7262199

c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)C#N)F
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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