Chemical ID: 3995242

c1cc(ncc1S(=O)(=O)N2CCCC2)Cl
Chemical ID:
3995242
Name [?]:
2-chloro-5-pyrrolidin-1-ylsulfonyl-pyridine
SMILES [?]:
c1cc(ncc1S(=O)(=O)N2CCCC2)Cl
InChi [?]:
InChI=1/C9H11ClN2O2S/c10-9-4-3-8(7-11-9)15(13,14)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,11,14,5,6,3,15,4,10,8,9,7/E:(1,2)(5,6)(13,14)/CRV:15.6/rA:15nCCCNCCSOONCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClN2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.94513
Area:401.232
Solvation:-2.08567
Coulombic:-12.5379
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.715
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.08
LogP (Chemaxon):1.08

Name Annotations

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Descriptor Annotations

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