Chemical ID: 4256594

c1cc(sc1S(=O)(=O)N2CCCCC2C(=O)O)Cl
Chemical ID:
4256594
Name [?]:
1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carboxylic acid
SMILES [?]:
c1cc(sc1S(=O)(=O)N2CCCCC2C(=O)O)Cl
InChi [?]:
InChI=1/C10H12ClNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:12,11,13,2,1,10,14,3,5,15,18,9,16,17,7,8,4,6/E:(13,14)(15,16)/CRV:18.6/rA:18cCCCSCSOONCCCCCCOOCl/rB:s1;d2;s3;d1s4;s5;d6;d6;s6;s9;s10;s11;s12;s9s13;s14;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12ClNO4S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.23252
Area:429.82
Solvation:-2.51298
Coulombic:-35.7887
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.791
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.77
LogP (Chemaxon):1.67

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