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Chemical ID: 4075025
Chemical ID:
4075025
Name [?]:
methyl 2-[3-(trifluoromethyl)phenyl]sulfonylaminoacetate
SMILES [?]:
COC(=O)CNS(=O)(=O)c1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C10H10F3NO4S/c1-18-9(15)6-14-19(16,17)8-4-2-3-7(5-8)10(11,12)13/h2-5,14H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,15,5,14,10,3,16,17,18,19,6,4,8,9,2,7/E:(11,12,13)(16,17)/CRV:19.6/rA:19nCOCOCNSOOCCCCCCCFFF/rB:s1;s2;d3;s3;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10F3NO4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24983 |
Area: | 446.913 |
Solvation: | -3.92301 |
Coulombic: | -48.4894 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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