Chemical ID: 6726135

c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(=O)[O-])Cl
Chemical ID:
6726135
Name [?]:
2-chloro-5-(1-piperidylsulfonyl)benzoate
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(=O)[O-])Cl
InChi [?]:
InChI=1/C12H14ClNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,11,15,5,6,4,3,16,19,10,17,18,8,9,7/E:(2,3)(6,7)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCOO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s4;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClNO4S-
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-30.4367
Area:455.18
Solvation:-41.8162
Coulombic:-8.40533
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.755
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.73
LogP (Chemaxon):1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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