ChemDB: Chemical Search
Download
Chemical ID: 6129839
Chemical ID:
6129839
Name [?]:
methyl 2-(p-tolylsulfonylamino)propanoate
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(C)C(=O)OC
InChi [?]:
InChI=1/C11H15NO4S/c1-8-4-6-10(7-5-8)17(14,15)12-9(2)11(13)16-3/h4-7,9,12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,17,3,7,4,6,2,12,5,14,11,15,9,10,16,8/E:(4,5)(6,7)(14,15)/CRV:17.6/rA:17cCCCCCCCSOONCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s12;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.02745 |
Area: | 431.322 |
Solvation: | -2.7556 |
Coulombic: | -31.691 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.54 |
LogP (Chemaxon): | 1.5 |
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 |
---|