Chemical ID: 4448166

CC1CC(CN(C1)S(=O)(=O)c2ccc(c(c2)Cl)F)C
Chemical ID:
4448166
Name [?]:
1-(3-chloro-4-fluoro-phenyl)sulfonyl-3,5-dimethyl-piperidine
SMILES [?]:
CC1CC(CN(C1)S(=O)(=O)c2ccc(c(c2)Cl)F)C
InChi [?]:
InChI=1/C13H17ClFNO2S/c1-9-5-10(2)8-16(7-9)19(17,18)11-3-4-13(15)12(14)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,12,13,3,16,7,5,2,4,11,15,14,17,18,6,9,10,8/E:(1,2)(7,8)(9,10)(17,18)/CRV:19.6/rA:19cCCCCCNCSOOCCCCCCClFC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClFNO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.01569
Area:466.893
Solvation:-2.65664
Coulombic:-11.77
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.797
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.35
LogP (Chemaxon):3.36

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Descriptor Annotations

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