Chemical ID: 6721311

CC1CCN(CC1)S(=O)(=O)c2ccc(c(c2)C(=O)OC)F
Chemical ID:
6721311
Name [?]:
methyl 2-fluoro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccc(c(c2)C(=O)OC)F
InChi [?]:
InChI=1/C14H18FNO4S/c1-10-5-7-16(8-6-10)21(18,19)11-3-4-13(15)12(9-11)14(17)20-2/h3-4,9-10H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,12,13,3,7,4,6,16,2,11,15,14,17,21,5,18,9,10,19,8/E:(5,6)(7,8)(18,19)/CRV:21.6/rA:21nCCCCNCCSOOCCCCCCCOOCF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18FNO4S
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.98615
Area:477.948
Solvation:-3.96255
Coulombic:-29.0447
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.361
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.58
LogP (Chemaxon):1.91

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Descriptor Annotations

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