ChemDB: Chemical Search
Download
Chemical ID: 7280953
Chemical ID:
7280953
Name [?]:
N-[2-methyl-5-(m-tolylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2ccc(c(c2)NC(=O)c3ccc4ccccc4n3)C
InChi [?]:
InChI=1/C24H21N3O3S/c1-16-6-5-8-19(14-16)27-31(29,30)20-12-10-17(2)23(15-20)26-24(28)22-13-11-18-7-3-4-9-21(18)25-22/h3-15,27H,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,31,26,27,4,3,25,5,28,14,23,13,22,7,17,2,15,24,6,12,29,21,16,19,30,18,8,20,10,11,9/E:(29,30)/CRV:31.6/rA:31nCCCCCCCNSOOCCCCCCNCOCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3O3S |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1471 |
Area: | 640.792 |
Solvation: | -2.87267 |
Coulombic: | -42.3 |
Bond Count [?]
All: | 34 |
Single: | 20 |
Double: | 14 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 431.508 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.44 |
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 |
---|