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Chemical ID: 7260076
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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