Chemical ID: 7260076

c1ccc(c(c1)C#N)S(=O)(=O)Nc2ccc(cc2)C#N
Chemical ID:
7260076
Name [?]:
2-cyano-N-(4-cyanophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)C#N)S(=O)(=O)Nc2ccc(cc2)C#N
InChi [?]:
InChI=1/C14H9N3O2S/c15-9-11-5-7-13(8-6-11)17-20(18,19)14-4-2-1-3-12(14)10-16/h1-8,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,17,14,18,19,7,16,5,13,4,20,8,12,10,11,9/E:(5,6)(7,8)(18,19)/CRV:20.6/rA:20nCCCCCCCNSOONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O2S
All Atoms:29
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.68761
Area:457.488
Solvation:-2.74959
Coulombic:-19.2077
Bond Count [?]
All:21
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.306
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.16
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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