Chemical ID: 6724258

Cc1ccc(cc1S(=O)(=O)N2CCC(CC2)C)C(=O)[O-]
Chemical ID:
6724258
Name [?]:
4-methyl-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N2CCC(CC2)C)C(=O)[O-]
InChi [?]:
InChI=1/C14H19NO4S/c1-10-5-7-15(8-6-10)20(18,19)13-9-12(14(16)17)4-3-11(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:17,1,3,4,13,15,12,16,6,14,2,5,7,18,11,19,20,9,10,8/E:(5,6)(7,8)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;s5;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18NO4S-
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-31.6595
Area:459.162
Solvation:-43.1386
Coulombic:-9.17756
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:1.84
LogP (Chemaxon):2.21

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Descriptor Annotations

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