Chemical ID: 3996031

c1ccc(c(c1)S(=O)(=O)N2CCCC(C2)C(=O)O)Cl
Chemical ID:
3996031
Name [?]:
1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)N2CCCC(C2)C(=O)O)Cl
InChi [?]:
InChI=1/C12H14ClNO4S/c13-10-5-1-2-6-11(10)19(17,18)14-7-3-4-9(8-14)12(15)16/h1-2,5-6,9H,3-4,7-8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,1,12,13,3,6,11,15,14,4,5,16,19,10,17,18,8,9,7/E:(15,16)(17,18)/CRV:19.6/rA:19cCCCCCCSOONCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s14;d16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClNO4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.16951
Area:438.818
Solvation:-2.80093
Coulombic:-34.3188
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):1.89

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