Chemical ID: 5815645

CC1CCN(CC1)S(=O)(=O)Cc2ccccc2Cl
Chemical ID:
5815645
Name [?]:
1-[(2-chlorophenyl)methylsulfonyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)Cc2ccccc2Cl
InChi [?]:
InChI=1/C13H18ClNO2S/c1-11-6-8-15(9-7-11)18(16,17)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,11,2,12,17,18,5,9,10,8/E:(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCCCNCCSOOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18ClNO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.62521
Area:444.181
Solvation:-2.47931
Coulombic:-7.38755
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.806
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.1
LogP (Chemaxon):2.59

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