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Chemical ID: 4029998
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
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Experimental Annotations
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Descriptor Annotations
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