ChemDB: Chemical Search
Download
Chemical ID: 7288953
Chemical ID:
7288953
Name [?]:
5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one
SMILES [?]:
c1cc(=O)[nH]cc1S(=O)(=O)N2CCCC2
InChi [?]:
InChI=1/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,12,15,6,7,3,5,11,4,9,10,8/E:(1,2)(5,6)(13,14)/CRV:15.6/rA:15nCCCONCCSOONCCCC/rB:d1;s2;d3;s3;s5;s1d6;s7;d8;d8;s8;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71381 |
Area: | 379.942 |
Solvation: | -2.78474 |
Coulombic: | -26.606 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.6 |
LogP (Chemaxon): | -0.01 |
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 |
---|