Chemical ID: 7118852

c1cc(ccc1C(=O)[O-])S(=O)(=O)N2CCCCC2
Chemical ID:
7118852
Name [?]:
4-(1-piperidylsulfonyl)benzoate
SMILES [?]:
c1cc(ccc1C(=O)[O-])S(=O)(=O)N2CCCCC2
InChi [?]:
InChI=1/C12H15NO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:16,15,17,1,5,2,4,14,18,6,3,7,13,8,9,11,12,10/E:(2,3)(4,5)(6,7)(8,9)(14,15)(16,17)/CRV:18.6/rA:18nCCCCCCCOO-SOONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14NO4S-
All Atoms:32
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-31.6978
Area:432.933
Solvation:-42.5212
Coulombic:-9.4938
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.31
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.11
LogP (Chemaxon):1.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue