ChemDB: Chemical Search
Download
Chemical ID: 6524026
Chemical ID:
6524026
Name [?]:
N-benzyl-2-(4-fluorophenyl)sulfonylamino-N-methyl-benzamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)c2ccccc2NS(=O)(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H19FN2O3S/c1-24(15-16-7-3-2-4-8-16)21(25)19-9-5-6-10-20(19)23-28(26,27)18-13-11-17(22)12-14-18/h2-14,23H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,14,15,5,9,13,16,24,26,23,27,3,4,25,22,12,17,10,28,18,2,11,20,21,19/E:(3,4)(7,8)(11,12)(13,14)(26,27)/CRV:28.6/rA:28nCNCCCCCCCCOCCCCCCNSOOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19FN2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4362 |
Area: | 569.884 |
Solvation: | -3.81086 |
Coulombic: | -35.3517 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 398.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.67 |
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 |
---|