ChemDB: Chemical Search
Download
Chemical ID: 4682865
Chemical ID:
4682865
Name [?]:
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)NC(C)c2ccccc2)C
InChi [?]:
InChI=1/C17H21NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-15(4)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,21,14,18,17,19,16,20,7,3,2,6,4,13,15,5,12,10,11,9/E:(2,3)(6,7)(8,9)(10,11)(13,14)(19,20)/CRV:21.6/rA:21cCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s13;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0885 |
Area: | 479.282 |
Solvation: | -1.89358 |
Coulombic: | -15.0965 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.52 |
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 |
---|