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Chemical ID: 4182085
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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