ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate

C11H14F2N2O4S — CID 65020877

IUPACethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H14F2N2O4S/c1-3-19-10(16)6-15(2)20(17,18)9-5-7(14)4-8(12)11(9)13/h4-5H,3,6,14H2,1-2H3
InChIKeyKFLWNRVDERHWAM-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.73
Rot. Bonds5

About ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate

ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate (PubChem CID 65020877) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate
PubChem CID65020877
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Nameethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H14F2N2O4S/c1-3-19-10(16)6-15(2)20(17,18)9-5-7(14)4-8(12)11(9)13/h4-5H,3,6,14H2,1-2H3
InChIKeyKFLWNRVDERHWAM-UHFFFAOYSA-N
XLogP0.73
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 65020746
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
ethyl 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetate
CID 114379371
2-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-4-fluorobenzoic acid
CID 102919494
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 65020928
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
CID 55007949
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
ethyl 2-[(3-amino-2,5,6-trimethylphenyl)sulfonyl-methylamino]acetate
CID 106504662
5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112656684
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805395
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate (CID 65020877) is ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate is CCOC(=O)CN(C)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is KFLWNRVDERHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-3-19-10(16)6-15(2)20(17,18)9-5-7(14)4-8(12)11(9)13/h4-5H,3,6,14H2,1-2H3.
What are the key properties of ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate?
ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 308.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 65020877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).