ChemDB: Chemical Search
Download
Chemical ID: 6501340
Chemical ID:
6501340
Name [?]:
N-[4-[(2-benzoylphenyl)sulfamoyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,18,17,24,28,19,16,6,10,7,9,2,23,5,8,20,15,21,4,14,3,22,12,13,11/E:(3,4)(7,8)(11,12)(13,14)(26,27)/CRV:28.6/rA:28nCCONCCCCCCSOONCCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8147 |
Area: | 587.543 |
Solvation: | -3.87382 |
Coulombic: | -41.9938 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 394.445 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.15 |
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 |
---|