ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate

C12H15F2NO4S — CID 61012274

IUPACethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO4S/c1-3-15(8-11(16)19-4-2)20(17,18)12-9(13)6-5-7-10(12)14/h5-7H,3-4,8H2,1-2H3
InChIKeyBHYARKXTUOFQLN-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.54
Rot. Bonds6

About ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate

ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate (PubChem CID 61012274) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate
PubChem CID61012274
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Nameethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO4S/c1-3-15(8-11(16)19-4-2)20(17,18)12-9(13)6-5-7-10(12)14/h5-7H,3-4,8H2,1-2H3
InChIKeyBHYARKXTUOFQLN-UHFFFAOYSA-N
XLogP1.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2,6-difluorophenyl)sulfonyl-[[2-[[(2,6-difluorophenyl)sulfonyl-(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]methyl]amino]acetate
CID 164732506
ethyl 2-[(4-amino-3-fluorophenyl)sulfonyl-ethylamino]acetate
CID 82844557
ethyl 2-[(3-cyano-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 63239313
2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
CID 61007874
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
ethyl 2-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]acetate
CID 61012542
ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
CID 102692863
ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684
ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
CID 61069107
ethyl 2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 61012540
ethyl 2-[[4-(cyanomethyl)phenyl]sulfonyl-ethylamino]acetate
CID 79186503
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate (CID 61012274) is ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate?
The InChIKey is BHYARKXTUOFQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-3-15(8-11(16)19-4-2)20(17,18)12-9(13)6-5-7-10(12)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate?
ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate has a molecular weight of 307.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 61012274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).