Chemical ID: 7451342

Cc1ccc(cc1)S(=O)(=O)C(C#N)c2c(nccn2)Cl
Chemical ID:
7451342
Name [?]:
2-(3-chloropyrazin-2-yl)-2-(p-tolylsulfonyl)acetonitrile
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)C(C#N)c2c(nccn2)Cl
InChi [?]:
InChI=1/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)11(8-15)12-13(14)17-7-6-16-12/h2-7,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,18,17,12,2,5,11,14,15,20,13,19,16,9,10,8/E:(2,3)(4,5)(18,19)/CRV:20.6/rA:20cCCCCCCCSOOCCNCCNCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;t12;s11;s14;d15;s16;d17;d14s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClN3O2S
All Atoms:30
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:8.37793
Area:472.272
Solvation:-3.42887
Coulombic:-16.891
Bond Count [?]
All:21
Single:12
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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