ChemDB: Chemical Search
Download
Chemical ID: 5503199
Chemical ID:
5503199
Name [?]:
N-methyl-N-phenyl-2-phenylsulfonyl-acetamide
SMILES [?]:
CN(c1ccccc1)C(=O)CS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C15H15NO3S/c1-16(13-8-4-2-5-9-13)15(17)12-20(18,19)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,18,5,7,17,19,4,8,16,20,11,3,15,9,2,10,13,14,12/E:(4,5)(6,7)(8,9)(10,11)(18,19)/CRV:20.6/rA:20nCNCCCCCCCOCSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.04578 |
Area: | 478.247 |
Solvation: | -4.91038 |
Coulombic: | -18.6631 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.351 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.04 |
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 |
---|