Chemical ID: 4039741

c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C#N)C#N
Chemical ID:
4039741
Name [?]:
3-cyano-N-(4-cyanophenyl)-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C#N)C#N
InChi [?]:
InChI=1/C14H9N3O2S/c15-9-11-4-6-13(7-5-11)17-20(18,19)14-3-1-2-12(8-14)10-16/h1-8,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,15,12,16,4,17,19,14,3,11,5,18,20,10,8,9,7/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;t17;s3;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.95601
Area:471.941
Solvation:-2.84251
Coulombic:-18.9617
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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