ChemDB: Chemical Search
Download
Chemical ID: 7517990
Chemical ID:
7517990
Name [?]:
4-chloro-N-(2,3-dimethylphenyl)-3-(m-tolylsulfamoyl)benzamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3cccc(c3C)C
InChi [?]:
InChI=1/C22H21ClN2O3S/c1-14-6-4-8-18(12-14)25-29(27,28)21-13-17(10-11-19(21)23)22(26)24-20-9-5-7-15(2)16(20)3/h4-13,25H,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,29,28,4,24,3,25,5,23,15,16,7,13,2,26,27,14,6,17,22,12,19,18,21,8,20,10,11,9/E:(27,28)/CRV:29.6/rA:29nCCCCCCCNSOOCCCCCCClCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21ClN2O3S |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1674 |
Area: | 625.584 |
Solvation: | -3.47214 |
Coulombic: | -34.2206 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.41 |
LogP (Chemaxon): | None |
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 |
---|