ChemDB: Chemical Search
Download
Chemical ID: 6609553
Chemical ID:
6609553
Name [?]:
2,5-dimethyl-N-(o-tolyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2ccccc2C)C
InChi [?]:
InChI=1/C15H17NO2S/c1-11-8-9-13(3)15(10-11)19(17,18)16-14-7-5-4-6-12(14)2/h4-10,16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,15,14,16,13,3,4,7,2,17,5,12,6,11,9,10,8/E:(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19335 |
Area: | 439.324 |
Solvation: | -1.78976 |
Coulombic: | -14.0181 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 4.01 |
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 |
---|