ChemDB: Chemical Search
Download
Chemical ID: 6675546
Chemical ID:
6675546
Name [?]:
N-cyano-N-(4-phenylphenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)N(C#N)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C19H14N2O2S/c20-15-21(24(22,23)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14H
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,3,5,20,24,8,12,9,11,14,4,7,10,19,15,13,17,18,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(22,23)/CRV:24.6/rA:24nCCCCCCCCCCCCNCNSOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;t14;s13;d16;d16;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3643 |
Area: | 531.008 |
Solvation: | -1.91093 |
Coulombic: | -16.1064 |
Bond Count [?]
All: | 26 |
Single: | 14 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.51 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|