Chemical ID: 5180519

COC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N2CCCCC2
Chemical ID:
5180519
Name [?]:
methyl 2,4-dichloro-5-(1-piperidylsulfonyl)benzoate
SMILES [?]:
COC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N2CCCCC2
InChi [?]:
InChI=1/C13H15Cl2NO4S/c1-20-13(17)9-7-12(11(15)8-10(9)14)21(18,19)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,6,9,5,10,8,7,3,11,12,16,4,14,15,2,13/E:(3,4)(5,6)(18,19)/CRV:21.6/rA:21nCOCOCCCCCCClClSOONCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s8;s7;d13;d13;s13;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15Cl2NO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.3178
Area:494.017
Solvation:-3.03263
Coulombic:-25.8634
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.234
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.15
LogP (Chemaxon):2.48

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Descriptor Annotations

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