Chemical ID: 4696476

CS(=O)(=O)N1CC2CCCN2c3c1ccc(c3)C(F)(F)F
Chemical ID:
4696476
Name [?]:
None
SMILES [?]:
CS(=O)(=O)N1CC2CCCN2c3c1ccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C13H15F3N2O2S/c1-21(19,20)18-8-10-3-2-6-17(10)12-7-9(13(14,15)16)4-5-11(12)18/h4-5,7,10H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,15,14,10,17,6,16,7,13,12,18,19,20,21,11,5,3,4,2/E:(14,15,16)(19,20)/CRV:21.6/rA:21cCSOONCCCCCNCCCCCCCFFF/rB:s1;d2;d2;s2;s5;s6;s7;s8;s9;s7s10;s11;s5s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15F3N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:7.15528
Area:435.909
Solvation:-3.74245
Coulombic:-29.3745
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.332
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):2.17

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Descriptor Annotations

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