methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate

C11H14FNO4S — CID 61384024

IUPACmethyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO4S/c1-3-13(8-11(14)17-2)18(15,16)10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3
InChIKeyFAMNFTYZSPDXFX-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate

methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 61384024) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
PubChem CID61384024
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Namemethyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO4S/c1-3-13(8-11(14)17-2)18(15,16)10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3
InChIKeyFAMNFTYZSPDXFX-UHFFFAOYSA-N
XLogP1.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
methyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]acetate
CID 54979377
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
methyl 2-[(2-bromo-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 61384576
methyl 2-[(5-chloro-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 54979246
2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 80675750
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate
CID 61012274

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate (CID 61384024) is methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate is CCN(CC(=O)OC)S(=O)(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is FAMNFTYZSPDXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-3-13(8-11(14)17-2)18(15,16)10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate?
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 275.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 61384024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).