Chemical ID: 4098900

c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(F)(F)F)Cl
Chemical ID:
4098900
Name [?]:
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H13ClF3NO2S/c13-11-5-4-9(8-10(11)12(14,15)16)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,2,11,15,5,6,4,3,16,20,17,18,19,10,8,9,7/E:(2,3)(6,7)(14,15,16)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s4;s16;s16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClF3NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.52939
Area:450.415
Solvation:-2.73099
Coulombic:-25.3567
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.751
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):3.3

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