ChemDB: Chemical Search
Download
Chemical ID: 7298512
Chemical ID:
7298512
Name [?]:
N-(3-methoxyphenyl)-3-(methyl-(p-tolyl)sulfamoyl)-benzamide
SMILES [?]:
Cc1ccc(cc1)N(C)S(=O)(=O)c2cccc(c2)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C22H22N2O4S/c1-16-10-12-19(13-11-16)24(2)29(26,27)21-9-4-6-17(14-21)22(25)23-18-7-5-8-20(15-18)28-3/h4-15H,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,9,29,15,24,16,23,25,14,3,7,4,6,18,27,2,17,22,5,26,13,19,21,8,20,11,12,28,10/E:(10,11)(12,13)(26,27)/CRV:29.6/rA:29cCCCCCCCNCSOOCCCCCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s8;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O4S |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9963 |
Area: | 627.713 |
Solvation: | -4.69649 |
Coulombic: | -36.7185 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.12 |
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 |
---|