Chemical ID: 4029998

CN(CC(=O)OC)S(=O)(=O)c1c(cccc1F)F
Chemical ID:
4029998
Name [?]:
methyl 2-[(2,6-difluorophenyl)sulfonyl-methyl-amino]acetate
SMILES [?]:
CN(CC(=O)OC)S(=O)(=O)c1c(cccc1F)F
InChi [?]:
InChI=1/C10H11F2NO4S/c1-13(6-9(14)17-2)18(15,16)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,14,13,15,3,12,16,4,11,18,17,2,5,9,10,6,8/E:(4,5)(7,8)(11,12)(15,16)/CRV:18.6/rA:18cCNCCOOCSOOCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;s2;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11F2NO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:4.69674
Area:413.004
Solvation:-5.62837
Coulombic:-30.6754
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.261
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.14
LogP (Chemaxon):1.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue