ChemDB: Chemical Search
Download
Chemical ID: 5381905
Chemical ID:
5381905
Name [?]:
N-benzyl-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)NCc3ccccc3)C
InChi [?]:
InChI=1/C23H24N2O3S/c1-16-9-10-17(2)21(13-16)25-29(27,28)22-14-20(12-11-18(22)3)23(26)24-15-19-7-5-4-6-8-19/h4-14,25H,15H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,29,18,26,25,27,24,28,3,4,16,15,7,13,22,2,5,17,23,14,6,12,19,21,8,20,10,11,9/E:(5,6)(7,8)(27,28)/CRV:29.6/rA:29nCCCCCCCNSOOCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3723 |
Area: | 620.801 |
Solvation: | -3.1477 |
Coulombic: | -36.1674 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.514 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.68 |
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 |
---|