Chemical ID: 3995993

c1ccc(c(c1)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl
Chemical ID:
3995993
Name [?]:
1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl
InChi [?]:
InChI=1/C12H14ClNO4S/c13-10-3-1-2-4-11(10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,14,11,15,13,4,5,16,19,10,17,18,8,9,7/E:(5,6)(7,8)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClNO4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.08114
Area:444.001
Solvation:-3.01888
Coulombic:-33.8852
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:303.763
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.65
LogP (Chemaxon):1.74

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