Chemical ID: 7288953

c1cc(=O)[nH]cc1S(=O)(=O)N2CCCC2
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

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