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Chemical ID: 4046365
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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