Chemical ID: 4046365

CC1CCCCN1S(=O)(=O)c2ccc(c(c2)F)F
Chemical ID:
4046365
Name [?]:
1-(3,4-difluorophenyl)sulfonyl-2-methyl-piperidine
SMILES [?]:
CC1CCCCN1S(=O)(=O)c2ccc(c(c2)F)F
InChi [?]:
InChI=1/C12H15F2NO2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,12,13,6,16,2,11,14,15,18,17,7,9,10,8/E:(16,17)/CRV:18.6/rA:18cCCCCCCNSOOCCCCCCFF/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15F2NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:6.5598
Area:400.544
Solvation:-3.45379
Coulombic:-13.9975
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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