ChemDB: Chemical Search
Download
Chemical ID: 6447012
Chemical ID:
6447012
Name [?]:
2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-N-(2,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CN(C)S(=O)(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C17H18Cl2N2O3S/c1-11-4-7-15(12(2)8-11)20-17(22)10-21(3)25(23,24)16-9-13(18)5-6-14(16)19/h4-9H,10H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,14,3,21,22,4,7,19,12,2,6,20,23,5,18,10,25,24,9,13,11,16,17,15/E:(23,24)/CRV:25.6/rA:25cCCCCCCCCNCOCNCSOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s13;d15;d15;s15;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18Cl2N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4072 |
Area: | 582.055 |
Solvation: | -4.1442 |
Coulombic: | -27.5778 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 401.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.57 |
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 |
---|