ChemDB: Chemical Search
Download
Chemical ID: 4408104
Chemical ID:
4408104
Name [?]:
2,4,5-trimethyl-N-(4-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1cc(c(cc1C)S(=O)(=O)Nc2ccncc2)C
InChi [?]:
InChI=1/C14H16N2O2S/c1-10-8-12(3)14(9-11(10)2)19(17,18)16-13-4-6-15-7-5-13/h4-9H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,19,14,18,15,17,3,6,2,7,4,13,5,16,12,10,11,9/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68659 |
Area: | 439.307 |
Solvation: | -2.29608 |
Coulombic: | -16.7094 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.56 |
LogP (Chemaxon): | 0.64 |
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 |
---|