Chemical ID: 4182085

Cc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)OC)C
Chemical ID:
4182085
Name [?]:
methyl 2-(2,4,6-trimethylphenyl)sulfonylaminoacetate
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)OC)C
InChi [?]:
InChI=1/C12H17NO4S/c1-8-5-9(2)12(10(3)6-8)18(15,16)13-7-11(14)17-4/h5-6,13H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,18,17,7,3,13,2,6,4,14,5,12,15,10,11,16,9/E:(2,3)(5,6)(9,10)(15,16)/CRV:18.6/rA:18nCCCCCCCCSOONCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s14;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.36662
Area:442.058
Solvation:-2.68483
Coulombic:-31.0589
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.334
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.46
LogP (Chemaxon):1.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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