Chemical ID: 4075025

COC(=O)CNS(=O)(=O)c1cccc(c1)C(F)(F)F
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

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Descriptor Annotations

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