Chemical ID: 7205412

Cc1ccc(cc1C(=O)[O-])S(=O)(=O)N2CCC(CC2)C
Chemical ID:
7205412
Name [?]:
2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate
SMILES [?]:
Cc1ccc(cc1C(=O)[O-])S(=O)(=O)N2CCC(CC2)C
InChi [?]:
InChI=1/C14H19NO4S/c1-10-5-7-15(8-6-10)20(18,19)12-4-3-11(2)13(9-12)14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:20,1,3,4,16,18,15,19,6,17,2,5,7,8,14,9,10,12,13,11/E:(5,6)(7,8)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCCOO-SOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;d11;s11;s14;s15;s16;s17;s14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18NO4S-
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-31.3959
Area:472.146
Solvation:-43.1996
Coulombic:-8.97539
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.363
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.05
LogP (Chemaxon):2.21

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Descriptor Annotations

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