ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate

C9H11FN2O4S — CID 103299284

IUPACethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O4S/c1-2-16-8(13)6-12-17(14,15)9-7(10)4-3-5-11-9/h3-5,12H,2,6H2,1H3
InChIKeyPEELMPRKCZWDDZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.06
Rot. Bonds5

About ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate

ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate (PubChem CID 103299284) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
PubChem CID103299284
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Nameethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H11FN2O4S/c1-2-16-8(13)6-12-17(14,15)9-7(10)4-3-5-11-9/h3-5,12H,2,6H2,1H3
InChIKeyPEELMPRKCZWDDZ-UHFFFAOYSA-N
XLogP0.06
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
CID 103299959
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
2-[(3-fluoro-2-pyridinyl)sulfonylamino]oxyacetamide
CID 103298965
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate (CID 103299284) is ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ncccc1F.
What is the InChIKey of ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate?
The InChIKey is PEELMPRKCZWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-2-16-8(13)6-12-17(14,15)9-7(10)4-3-5-11-9/h3-5,12H,2,6H2,1H3.
What are the key properties of ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate?
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate has a molecular weight of 262.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate is sourced from PubChem (CID 103299284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).