ChemDB: Chemical Search
Download
Chemical ID: 7361389
Chemical ID:
7361389
Name [?]:
4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-(2,3-dimethylphenyl)-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(c(c2)S(=O)(=O)N(C)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C22H20Cl2N2O3S/c1-14-5-4-6-20(15(14)2)25-22(27)16-7-12-19(24)21(13-16)30(28,29)26(3)18-10-8-17(23)9-11-18/h4-13H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,22,4,3,5,13,25,27,24,28,14,17,2,7,12,26,23,15,6,16,10,29,30,9,21,11,19,20,18/E:(8,9)(10,11)(28,29)/CRV:30.6/rA:30cCCCCCCCCNCOCCCCCCSOONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s21;s23;d24;s25;d26;d23s27;s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20Cl2N2O3S |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7405 |
Area: | 650.18 |
Solvation: | -3.51397 |
Coulombic: | -29.998 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 463.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.16 |
LogP (Chemaxon): | 5.23 |
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 |
---|