ChemDB: Chemical Search
Download
Chemical ID: 5414762
Chemical ID:
5414762
Name [?]:
N,N-dimethyl-4-(p-tolylsulfonylamino)benzamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)N(C)C
InChi [?]:
InChI=1/C16H18N2O3S/c1-12-4-10-15(11-5-12)22(20,21)17-14-8-6-13(7-9-14)16(19)18(2)3/h4-11,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,3,7,14,16,13,17,4,6,2,15,12,5,18,11,20,19,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCCCCCCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5252 |
Area: | 497.861 |
Solvation: | -2.92131 |
Coulombic: | -30.2058 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.22 |
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 |
---|